N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C19H18ClN5O — CID 109329026

IUPACN-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)cc2)nc(NCc2ccncc2)n1
InChIInChI=1S/C19H18ClN5O/c1-13-10-17(18(26)22-11-14-2-4-16(20)5-3-14)25-19(24-13)23-12-15-6-8-21-9-7-15/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyYNIQGVHOOUVPBG-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.38
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109329026) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109329026
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(Cl)cc2)nc(NCc2ccncc2)n1
InChIInChI=1S/C19H18ClN5O/c1-13-10-17(18(26)22-11-14-2-4-16(20)5-3-14)25-19(24-13)23-12-15-6-8-21-9-7-15/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyYNIQGVHOOUVPBG-UHFFFAOYSA-N
XLogP3.38
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327781
6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109319095
N-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109329037
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327800
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330341
6-methyl-N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330140
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109328995
N-[(4-chlorophenyl)methyl]-4,6-dimethylpyrimidin-2-amine chloride
CID 53351957

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109329026) is N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(Cl)cc2)nc(NCc2ccncc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is YNIQGVHOOUVPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-13-10-17(18(26)22-11-14-2-4-16(20)5-3-14)25-19(24-13)23-12-15-6-8-21-9-7-15/h2-10H,11-12H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109329026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).