N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide

C17H18N4O2 — CID 109202020

IUPACN-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NC3CC3)ccn2)c1
InChIInChI=1S/C17H18N4O2/c1-11(22)19-13-3-2-4-14(9-13)21-17(23)16-10-15(7-8-18-16)20-12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,18,20)(H,19,22)(H,21,23)
InChIKeyRXXRJNLGOLMLOJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.87
Rot. Bonds5

About N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide

N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide (PubChem CID 109202020) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
PubChem CID109202020
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(NC3CC3)ccn2)c1
InChIInChI=1S/C17H18N4O2/c1-11(22)19-13-3-2-4-14(9-13)21-17(23)16-10-15(7-8-18-16)20-12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,18,20)(H,19,22)(H,21,23)
InChIKeyRXXRJNLGOLMLOJ-UHFFFAOYSA-N
XLogP2.87
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204307
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
N-(3-acetamidophenyl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180174
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
CID 109217101
4-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109201977
4-(cyclopropylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109201983
N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
CID 109109935
4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109202049
4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 109205065
N-(2-bromophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202038
4-(cyclohexylamino)-N-(2,3-dichlorophenyl)pyridine-2-carboxamide
CID 109205054
N-(3-acetamidophenyl)-4-(butan-2-ylamino)pyridine-2-carboxamide
CID 109203563

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide (CID 109202020) is N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(NC3CC3)ccn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide?
The InChIKey is RXXRJNLGOLMLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(22)19-13-3-2-4-14(9-13)21-17(23)16-10-15(7-8-18-16)20-12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,18,20)(H,19,22)(H,21,23).
What are the key properties of N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide?
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109202020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).