potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride

C25H24KN9O5S — CID 173456696

IUPACpotassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride
SMILESCC1(C)S[C@H]2C(NC(=O)C(NC(=O)c3c[nH]c4cccnc4c3=O)c3ccc(O)cc3)C(=O)N2C1c1nn[nH]n1.[H-].[K+]
InChIInChI=1S/C25H23N9O5S.K.H/c1-25(2)19(20-30-32-33-31-20)34-23(39)17(24(34)40-25)29-22(38)15(11-5-7-12(35)8-6-11)28-21(37)13-10-27-14-4-3-9-26-16(14)18(13)36;;/h3-10,15,17,19,24,35H,1-2H3,(H,27,36)(H,28,37)(H,29,38)(H,30,31,32,33);;/q;+1;-1/t15?,17?,19?,24-;;/m0../s1
InChIKeyKTAQAZRLMURAQX-MBWWCYHNSA-N
MW601.69 g/mol
LogP-2.35
Rot. Bonds6

About potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride

potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride (PubChem CID 173456696) has the molecular formula C25H24KN9O5S and a molecular weight of 601.69 g/mol. Its IUPAC name is potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride.

Molecular Properties

Compound Namepotassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride
PubChem CID173456696
Molecular FormulaC25H24KN9O5S
Molecular Weight601.69 g/mol
Exact Mass601.13
IUPAC Namepotassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride
SMILESCC1(C)S[C@H]2C(NC(=O)C(NC(=O)c3c[nH]c4cccnc4c3=O)c3ccc(O)cc3)C(=O)N2C1c1nn[nH]n1.[H-].[K+]
InChIInChI=1S/C25H23N9O5S.K.H/c1-25(2)19(20-30-32-33-31-20)34-23(39)17(24(34)40-25)29-22(38)15(11-5-7-12(35)8-6-11)28-21(37)13-10-27-14-4-3-9-26-16(14)18(13)36;;/h3-10,15,17,19,24,35H,1-2H3,(H,27,36)(H,28,37)(H,29,38)(H,30,31,32,33);;/q;+1;-1/t15?,17?,19?,24-;;/m0../s1
InChIKeyKTAQAZRLMURAQX-MBWWCYHNSA-N
XLogP-2.35
TPSA198.95 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.69
LogP ≤ 5-2.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride with MolForge

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Related Compounds

(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(4-oxo-1H-1,5-naphthyridine-3-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 25164111
sodium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-2-[(4-oxo-1H-1,5-naphthyridine-3-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 23724841
2-amino-N-[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-(4-hydroxyphenyl)acetamide;trihydrate
CID 70604912
2-[(2-chloroacetyl)carbamoylamino]-N-[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide
CID 54562285
2-[(2-chloroacetyl)carbamoylamino]-N-[(5S,6R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylacetamide
CID 22809565
4-(diaminomethylideneamino)-N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-2-oxo-1-phenylethyl]benzamide
CID 22805560
(2S,5R)-6-[[2-[(2-aminopyridine-3-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 70607498
N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-[[2-(ethylcarbamoylamino)acetyl]amino]-2-phenylacetamide
CID 70604113
N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-hydroxy-2-phenylacetamide
CID 70604260
N'-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenylpropanediamide
CID 70605159
(2R)-2-amino-2-(4-aminophenyl)-N-[(2S,5R,6R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]acetamide
CID 117065566
N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]acetamide
CID 70626120

Frequently Asked Questions

What is the IUPAC name of potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride?
The IUPAC name of potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride (CID 173456696) is potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride.
What is the SMILES notation for potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride?
The canonical SMILES for potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride is CC1(C)S[C@H]2C(NC(=O)C(NC(=O)c3c[nH]c4cccnc4c3=O)c3ccc(O)cc3)C(=O)N2C1c1nn[nH]n1.[H-].[K+].
What is the InChIKey of potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride?
The InChIKey is KTAQAZRLMURAQX-MBWWCYHNSA-N. The full InChI is InChI=1S/C25H23N9O5S.K.H/c1-25(2)19(20-30-32-33-31-20)34-23(39)17(24(34)40-25)29-22(38)15(11-5-7-12(35)8-6-11)28-21(37)13-10-27-14-4-3-9-26-16(14)18(13)36;;/h3-10,15,17,19,24,35H,1-2H3,(H,27,36)(H,28,37)(H,29,38)(H,30,31,32,33);;/q;+1;-1/t15?,17?,19?,24-;;/m0../s1.
What are the key properties of potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride?
potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride has a molecular weight of 601.69 g/mol, XLogP of -2.35, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N-[2-[[(5S)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-1-(4-hydroxyphenyl)-2-oxoethyl]-4-oxo-1H-1,5-naphthyridine-3-carboxamide;hydride is sourced from PubChem (CID 173456696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).