6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide

C21H26N4O2 — CID 109161071

IUPAC6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)NC3CCCCCC3)cn2)c1
InChIInChI=1S/C21H26N4O2/c1-15(26)23-18-9-6-10-19(13-18)24-20-12-11-16(14-22-20)21(27)25-17-7-4-2-3-5-8-17/h6,9-14,17H,2-5,7-8H2,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyUETFLBQXSVOOSB-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.24
Rot. Bonds5

About 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide

6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide (PubChem CID 109161071) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
PubChem CID109161071
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)NC3CCCCCC3)cn2)c1
InChIInChI=1S/C21H26N4O2/c1-15(26)23-18-9-6-10-19(13-18)24-20-12-11-16(14-22-20)21(27)25-17-7-4-2-3-5-8-17/h6,9-14,17H,2-5,7-8H2,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyUETFLBQXSVOOSB-UHFFFAOYSA-N
XLogP4.24
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152271
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
6-(3-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
6-(3-acetamidoanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109162236
N-cyclohexyl-6-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 5049567
6-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyridine-3-carboxamide
CID 109162750
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
CID 109217101
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159393
5-(3-acetylanilino)-N-cyclohexylpyrazine-2-carboxamide
CID 109274767
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109162684
N-[3-[[5-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109161758

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide (CID 109161071) is 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide is CC(=O)Nc1cccc(Nc2ccc(C(=O)NC3CCCCCC3)cn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide?
The InChIKey is UETFLBQXSVOOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(26)23-18-9-6-10-19(13-18)24-20-12-11-16(14-22-20)21(27)25-17-7-4-2-3-5-8-17/h6,9-14,17H,2-5,7-8H2,1H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide?
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide is sourced from PubChem (CID 109161071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).