N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide

C22H26N4O2 — CID 109183801

IUPACN-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NCCC3=CCCCC3)cn2)c1
InChIInChI=1S/C22H26N4O2/c1-16(27)25-18-8-5-9-19(14-18)26-22(28)21-11-10-20(15-24-21)23-13-12-17-6-3-2-4-7-17/h5-6,8-11,14-15,23H,2-4,7,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyHETVDYFVTNTTGJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.59
Rot. Bonds7

About N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide

N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (PubChem CID 109183801) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
PubChem CID109183801
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NCCC3=CCCCC3)cn2)c1
InChIInChI=1S/C22H26N4O2/c1-16(27)25-18-8-5-9-19(14-18)26-22(28)21-11-10-20(15-24-21)23-13-12-17-6-3-2-4-7-17/h5-6,8-11,14-15,23H,2-4,7,12-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyHETVDYFVTNTTGJ-UHFFFAOYSA-N
XLogP4.59
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109183818
5-[2-(cyclohexen-1-yl)ethylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109183775
5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183683
5-[2-(cyclohexen-1-yl)ethylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179842
N-butan-2-yl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109181397
N-(3-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205611
N-(4-acetamidophenyl)-2-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-5-carboxamide
CID 109251271
N-(3-acetylphenyl)-6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342599
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109183632
6-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342563
4-[2-(cyclohexen-1-yl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109205598

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide (CID 109183801) is N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(NCCC3=CCCCC3)cn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
The InChIKey is HETVDYFVTNTTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(27)25-18-8-5-9-19(14-18)26-22(28)21-11-10-20(15-24-21)23-13-12-17-6-3-2-4-7-17/h5-6,8-11,14-15,23H,2-4,7,12-13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide?
N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109183801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).