4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide

C22H22ClN3O2 — CID 109211753

IUPAC4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(NCc2ccccc2Cl)ccn1
InChIInChI=1S/C22H22ClN3O2/c1-15(2)28-21-10-6-5-9-19(21)26-22(27)20-13-17(11-12-24-20)25-14-16-7-3-4-8-18(16)23/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyKQSFOYAODPNFSE-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.39
Rot. Bonds7

About 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide

4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 109211753) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
PubChem CID109211753
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc(NCc2ccccc2Cl)ccn1
InChIInChI=1S/C22H22ClN3O2/c1-15(2)28-21-10-6-5-9-19(21)26-22(27)20-13-17(11-12-24-20)25-14-16-7-3-4-8-18(16)23/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyKQSFOYAODPNFSE-UHFFFAOYSA-N
XLogP5.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214072
4-[2-(4-fluorophenyl)ethylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109214232
4-[(2-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109211770
4-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109211733
4-[(2-chlorophenyl)methylamino]-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109211739
N-(2-ethoxyphenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210117
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
4-[(2-chlorophenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109201013
4-(3-acetylanilino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109221907
N-(2-chlorophenyl)-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212879
N-(2-propan-2-yloxyphenyl)-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109221912
N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109209998

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide (CID 109211753) is 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cc(NCc2ccccc2Cl)ccn1.
What is the InChIKey of 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is KQSFOYAODPNFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15(2)28-21-10-6-5-9-19(21)26-22(27)20-13-17(11-12-24-20)25-14-16-7-3-4-8-18(16)23/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide?
4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylamino]-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109211753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).