N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide

C24H37N5O5 — CID 56598160

IUPACN-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)C(C)(C)C
InChIInChI=1S/C24H37N5O5/c1-15(2)18(14-30)27-21(31)16(3)26-23(33)20(24(4,5)6)28-22(32)17-7-8-19(25-13-17)29-9-11-34-12-10-29/h7-8,13-16,18,20H,9-12H2,1-6H3,(H,26,33)(H,27,31)(H,28,32)/t16-,18+,20+/m0/s1
InChIKeyLRQOOTMHZHBWLN-ILZDJORESA-N
MW475.59 g/mol
LogP0.91
Rot. Bonds9

About N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 56598160) has the molecular formula C24H37N5O5 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID56598160
Molecular FormulaC24H37N5O5
Molecular Weight475.59 g/mol
Exact Mass475.28
IUPAC NameN-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)C(C)(C)C
InChIInChI=1S/C24H37N5O5/c1-15(2)18(14-30)27-21(31)16(3)26-23(33)20(24(4,5)6)28-22(32)17-7-8-19(25-13-17)29-9-11-34-12-10-29/h7-8,13-16,18,20H,9-12H2,1-6H3,(H,26,33)(H,27,31)(H,28,32)/t16-,18+,20+/m0/s1
InChIKeyLRQOOTMHZHBWLN-ILZDJORESA-N
XLogP0.91
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[3,3-dimethyl-2-[(2-morpholin-4-ylpyridine-4-carbonyl)amino]butanoyl]amino]propanoic acid
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CID 46515997
N-[1-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 84570773
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98750935
N-[(2R)-5-(diethylamino)pentan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 94813287
N-(1-methylpyrrolidin-3-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 72570198
N-[(3R)-1-methylpyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 59818085
N-[1-[[1-[[1-(benzylamino)-3-formyl-1-oxopentan-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 123293684
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
6-morpholin-4-yl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18143105
methyl (3R)-3-(4-methylphenyl)-3-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]propanoate
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CID 18142338

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 56598160) is N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide is CC(C)[C@@H](C=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is LRQOOTMHZHBWLN-ILZDJORESA-N. The full InChI is InChI=1S/C24H37N5O5/c1-15(2)18(14-30)27-21(31)16(3)26-23(33)20(24(4,5)6)28-22(32)17-7-8-19(25-13-17)29-9-11-34-12-10-29/h7-8,13-16,18,20H,9-12H2,1-6H3,(H,26,33)(H,27,31)(H,28,32)/t16-,18+,20+/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 0.91, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 56598160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).