6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C18H16ClN5O — CID 109350063

IUPAC6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3cccnc3)ncn2)cc1Cl
InChIInChI=1S/C18H16ClN5O/c1-12-4-5-14(7-15(12)19)24-17-8-16(22-11-23-17)18(25)21-10-13-3-2-6-20-9-13/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyPOPFMSICRSGOAD-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.51
Rot. Bonds5

About 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109350063) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109350063
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3cccnc3)ncn2)cc1Cl
InChIInChI=1S/C18H16ClN5O/c1-12-4-5-14(7-15(12)19)24-17-8-16(22-11-23-17)18(25)21-10-13-3-2-6-20-9-13/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyPOPFMSICRSGOAD-UHFFFAOYSA-N
XLogP3.51
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-dimethylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350041
6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444
6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350032
6-(2-chloroanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350057
6-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348203
4-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213080
4-N-(3-chloro-4-methylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047684
6-(2-methyl-6-propan-2-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350052
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106049
4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213087
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347455

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109350063) is 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCc3cccnc3)ncn2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is POPFMSICRSGOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-12-4-5-14(7-15(12)19)24-17-8-16(22-11-23-17)18(25)21-10-13-3-2-6-20-9-13/h2-9,11H,10H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109350063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).