4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide

C21H26N4O2 — CID 109217101

IUPAC4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccnc(C(=O)NC3CCCCCC3)c2)c1
InChIInChI=1S/C21H26N4O2/c1-15(26)23-17-9-6-10-18(13-17)24-19-11-12-22-20(14-19)21(27)25-16-7-4-2-3-5-8-16/h6,9-14,16H,2-5,7-8H2,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyMPSMTTYWQQLODL-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.24
Rot. Bonds5

About 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide

4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide (PubChem CID 109217101) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
PubChem CID109217101
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccnc(C(=O)NC3CCCCCC3)c2)c1
InChIInChI=1S/C21H26N4O2/c1-15(26)23-17-9-6-10-18(13-17)24-19-11-12-22-20(14-19)21(27)25-16-7-4-2-3-5-8-16/h6,9-14,16H,2-5,7-8H2,1H3,(H,22,24)(H,23,26)(H,25,27)
InChIKeyMPSMTTYWQQLODL-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-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109342093
4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201843
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071
N-cyclopentyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109204088
4-(4-acetylanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201823
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide (CID 109217101) is 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide is CC(=O)Nc1cccc(Nc2ccnc(C(=O)NC3CCCCCC3)c2)c1.
What is the InChIKey of 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide?
The InChIKey is MPSMTTYWQQLODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(26)23-17-9-6-10-18(13-17)24-19-11-12-22-20(14-19)21(27)25-16-7-4-2-3-5-8-16/h6,9-14,16H,2-5,7-8H2,1H3,(H,22,24)(H,23,26)(H,25,27).
What are the key properties of 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide?
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-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 4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide is sourced from PubChem (CID 109217101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).