N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide

C23H25ClN4O — CID 168929908

IUPACN-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide
SMILESCCCC(C)(C)c1cc(C(=O)Nc2ccc(C)c(-c3ccnc(Cl)n3)c2)ccn1
InChIInChI=1S/C23H25ClN4O/c1-5-10-23(3,4)20-13-16(8-11-25-20)21(29)27-17-7-6-15(2)18(14-17)19-9-12-26-22(24)28-19/h6-9,11-14H,5,10H2,1-4H3,(H,27,29)
InChIKeyQFJQKYGQYHYDJA-UHFFFAOYSA-N
MW408.93 g/mol
LogP5.83
Rot. Bonds6

About N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide

N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide (PubChem CID 168929908) has the molecular formula C23H25ClN4O and a molecular weight of 408.93 g/mol. Its IUPAC name is N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide
PubChem CID168929908
Molecular FormulaC23H25ClN4O
Molecular Weight408.93 g/mol
Exact Mass408.17
IUPAC NameN-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide
SMILESCCCC(C)(C)c1cc(C(=O)Nc2ccc(C)c(-c3ccnc(Cl)n3)c2)ccn1
InChIInChI=1S/C23H25ClN4O/c1-5-10-23(3,4)20-13-16(8-11-25-20)21(29)27-17-7-6-15(2)18(14-17)19-9-12-26-22(24)28-19/h6-9,11-14H,5,10H2,1-4H3,(H,27,29)
InChIKeyQFJQKYGQYHYDJA-UHFFFAOYSA-N
XLogP5.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 169024706
N-[3-[2-(2-amino-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168930339
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 168930367
N-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406
N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 90461015
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930124
N-[4-(2-chloropyrimidin-4-yl)-3-methylphenyl]acetamide;ethane
CID 145490179
2-chloro-4-(2-methylpentan-2-yl)pyrimidine
CID 167262653
methyl N-[4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-methylpyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929736
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 168930703
2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463027
2-tert-butyl-N-(3,5-dimethylphenyl)pyridine-4-carboxamide
CID 4731308

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide (CID 168929908) is N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide is CCCC(C)(C)c1cc(C(=O)Nc2ccc(C)c(-c3ccnc(Cl)n3)c2)ccn1.
What is the InChIKey of N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide?
The InChIKey is QFJQKYGQYHYDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O/c1-5-10-23(3,4)20-13-16(8-11-25-20)21(29)27-17-7-6-15(2)18(14-17)19-9-12-26-22(24)28-19/h6-9,11-14H,5,10H2,1-4H3,(H,27,29).
What are the key properties of N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide?
N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide has a molecular weight of 408.93 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-methylpentan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 168929908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).