N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide

C22H28N4O2 — CID 91021018

IUPACN-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide
SMILESCCC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cn1)C1CCCCC1
InChIInChI=1S/C22H28N4O2/c1-2-21(27)26(18-8-4-3-5-9-18)15-17-13-12-16(14-24-17)22(28)25-20-11-7-6-10-19(20)23/h6-7,10-14,18H,2-5,8-9,15,23H2,1H3,(H,25,28)
InChIKeyYRSYCMKHVSFBDM-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.99
Rot. Bonds6

About N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide (PubChem CID 91021018) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide
PubChem CID91021018
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide
SMILESCCC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cn1)C1CCCCC1
InChIInChI=1S/C22H28N4O2/c1-2-21(27)26(18-8-4-3-5-9-18)15-17-13-12-16(14-24-17)22(28)25-20-11-7-6-10-19(20)23/h6-7,10-14,18H,2-5,8-9,15,23H2,1H3,(H,25,28)
InChIKeyYRSYCMKHVSFBDM-UHFFFAOYSA-N
XLogP3.99
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(1-methylpiperidin-3-yl)carbamate
CID 68850756
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
N-(2-aminophenyl)-6-[(pent-4-enoylamino)methyl]pyridine-3-carboxamide
CID 11723763
N-(2-aminophenyl)-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxamide
CID 16662758
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide
CID 89124325
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
2-N-(2-aminophenyl)-5-N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]pyridine-2,5-dicarboxamide
CID 155469490

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide (CID 91021018) is N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide is CCC(=O)N(Cc1ccc(C(=O)Nc2ccccc2N)cn1)C1CCCCC1.
What is the InChIKey of N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide?
The InChIKey is YRSYCMKHVSFBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-21(27)26(18-8-4-3-5-9-18)15-17-13-12-16(14-24-17)22(28)25-20-11-7-6-10-19(20)23/h6-7,10-14,18H,2-5,8-9,15,23H2,1H3,(H,25,28).
What are the key properties of N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91021018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).