N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide

C22H23ClN4O — CID 52945732

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCc1nc(NCC(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C22H23ClN4O/c1-14(2)13-25-21-10-8-17(15(3)26-21)22(28)27-16-7-9-19(23)18(12-16)20-6-4-5-11-24-20/h4-12,14H,13H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyIXUTTXTUDBKNMJ-UHFFFAOYSA-N
MW394.91 g/mol
LogP5.43
Rot. Bonds6

About N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide (PubChem CID 52945732) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide
PubChem CID52945732
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide
SMILESCc1nc(NCC(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C22H23ClN4O/c1-14(2)13-25-21-10-8-17(15(3)26-21)22(28)27-16-7-9-19(23)18(12-16)20-6-4-5-11-24-20/h4-12,14H,13H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyIXUTTXTUDBKNMJ-UHFFFAOYSA-N
XLogP5.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.91
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
Dipyridodiazepinone deriv. 15
CID 463144
5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470674
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
5-Chloro-2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470741
5-Chloro-2-ethyl-9-methyl-13-[2-(3-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470742
5-Chloro-2-ethyl-9-methyl-13-[2-(2-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470746
[3-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)phenyl]urea
CID 470748
13-[2-(3-Azidophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470749

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide (CID 52945732) is N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide is Cc1nc(NCC(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide?
The InChIKey is IXUTTXTUDBKNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-14(2)13-25-21-10-8-17(15(3)26-21)22(28)27-16-7-9-19(23)18(12-16)20-6-4-5-11-24-20/h4-12,14H,13H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 52945732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).