N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide

C22H25N5O3 — CID 66720115

IUPACN-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1)C(O)C(N)=O
InChIInChI=1S/C22H25N5O3/c1-2-3-11-18(19(28)20(23)29)26-22(30)17-10-7-12-24-21(17)27-14-16(13-25-27)15-8-5-4-6-9-15/h4-10,12-14,18-19,28H,2-3,11H2,1H3,(H2,23,29)(H,26,30)
InChIKeyLIENRGLMOKOKJU-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.07
Rot. Bonds9

About N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide

N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 66720115) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID66720115
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1)C(O)C(N)=O
InChIInChI=1S/C22H25N5O3/c1-2-3-11-18(19(28)20(23)29)26-22(30)17-10-7-12-24-21(17)27-14-16(13-25-27)15-8-5-4-6-9-15/h4-10,12-14,18-19,28H,2-3,11H2,1H3,(H2,23,29)(H,26,30)
InChIKeyLIENRGLMOKOKJU-UHFFFAOYSA-N
XLogP2.07
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-hydroxy-3-[[2-(4-methyl-3-phenylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-phenylbutanoate
CID 67240113
ethyl 2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)pyridine-3-carbonyl]amino]butanoate;2-hydroxy-4-phenyl-3-[[2-(3-phenylpyrazol-1-yl)pyridine-3-carbonyl]amino]butanoic acid
CID 87329244
N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66719963
N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-benzylpiperazin-1-yl)pyridine-3-carboxamide
CID 70030685
N-[3-hydroxy-4-(methoxyamino)-1-(2-methoxyphenyl)-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 141313072
N-[(3S)-1-amino-2-hydroxy-1-oxohex-5-en-3-yl]-1-methyl-3-phenylpyrazole-4-carboxamide
CID 134397420
2-[(2-bromopyridine-3-carbonyl)amino]hexanoic acid
CID 104543371
(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
N-(cyanomethyl)-2-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]pyridine-3-carboxamide
CID 175708464
2-(2-ethylhexyl)pyridine-3-carboxamide
CID 71001872
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide
CID 134397359

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 66720115) is N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide is CCCCC(NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1)C(O)C(N)=O.
What is the InChIKey of N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is LIENRGLMOKOKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-2-3-11-18(19(28)20(23)29)26-22(30)17-10-7-12-24-21(17)27-14-16(13-25-27)15-8-5-4-6-9-15/h4-10,12-14,18-19,28H,2-3,11H2,1H3,(H2,23,29)(H,26,30).
What are the key properties of N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.07, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-hydroxy-1-oxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66720115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).