4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide

C23H32N4O — CID 109205057

IUPAC4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NC3CCCCC3)ccn2)c(C)c1
InChIInChI=1S/C23H32N4O/c1-4-27(5-2)20-11-12-21(17(3)15-20)26-23(28)22-16-19(13-14-24-22)25-18-9-7-6-8-10-18/h11-16,18H,4-10H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyVPNFANHXLMRXKI-UHFFFAOYSA-N
MW380.54 g/mol
LogP5.23
Rot. Bonds7

About 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide

4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide (PubChem CID 109205057) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
PubChem CID109205057
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NC3CCCCC3)ccn2)c(C)c1
InChIInChI=1S/C23H32N4O/c1-4-27(5-2)20-11-12-21(17(3)15-20)26-23(28)22-16-19(13-14-24-22)25-18-9-7-6-8-10-18/h11-16,18H,4-10H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyVPNFANHXLMRXKI-UHFFFAOYSA-N
XLogP5.23
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109183226
2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide
CID 109322767
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109295704
N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203222
5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109226245
N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
CID 109201867
4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109203604
6-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109152230
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
N-[4-(diethylamino)-2-methylphenyl]-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213230
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide (CID 109205057) is 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(NC3CCCCC3)ccn2)c(C)c1.
What is the InChIKey of 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide?
The InChIKey is VPNFANHXLMRXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-27(5-2)20-11-12-21(17(3)15-20)26-23(28)22-16-19(13-14-24-22)25-18-9-7-6-8-10-18/h11-16,18H,4-10H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide?
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109205057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).