N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide

C18H22N4O3 — CID 119845805

IUPACN-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)C(N)C(C)C)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C18H22N4O3/c1-11(2)16(19)18(24)21-13-6-7-14(15(9-13)25-3)22-17(23)12-5-4-8-20-10-12/h4-11,16H,19H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyMQFORWIAVTVGRL-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.26
Rot. Bonds6

About N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide

N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 119845805) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
PubChem CID119845805
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)C(N)C(C)C)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C18H22N4O3/c1-11(2)16(19)18(24)21-13-6-7-14(15(9-13)25-3)22-17(23)12-5-4-8-20-10-12/h4-11,16H,19H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyMQFORWIAVTVGRL-UHFFFAOYSA-N
XLogP2.26
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[4-[2-(4-fluorophenoxy)propanoylamino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 46460746
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38659868
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
CID 38661634
N-[2-methoxy-4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 33492536
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-[4-[[4-(dimethylamino)-3-fluorobenzoyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 47783030
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide (CID 119845805) is N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)C(N)C(C)C)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is MQFORWIAVTVGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11(2)16(19)18(24)21-13-6-7-14(15(9-13)25-3)22-17(23)12-5-4-8-20-10-12/h4-11,16H,19H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide?
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 119845805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).