2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

C18H15ClFN5O — CID 109330048

IUPAC2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2)nc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H15ClFN5O/c1-11-7-16(17(26)22-10-12-3-2-6-21-9-12)25-18(23-11)24-13-4-5-15(20)14(19)8-13/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyDFXBGBYRTYVOFT-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.65
Rot. Bonds5

About 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide

2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109330048) has the molecular formula C18H15ClFN5O and a molecular weight of 371.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109330048
Molecular FormulaC18H15ClFN5O
Molecular Weight371.80 g/mol
Exact Mass371.09
IUPAC Name2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccnc2)nc(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C18H15ClFN5O/c1-11-7-16(17(26)22-10-12-3-2-6-21-9-12)25-18(23-11)24-13-4-5-15(20)14(19)8-13/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyDFXBGBYRTYVOFT-UHFFFAOYSA-N
XLogP3.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330039
2-(3,4-difluoroanilino)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330341
2-(4-ethoxyanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330057
2-(4-chloro-2-methoxy-5-methylanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330092
2-(2-bromoanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330078
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
4-N-(3-chloro-4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047685
2-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328586
2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109324862
5-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191293

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide (CID 109330048) is 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2cccnc2)nc(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is DFXBGBYRTYVOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5O/c1-11-7-16(17(26)22-10-12-3-2-6-21-9-12)25-18(23-11)24-13-4-5-15(20)14(19)8-13/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide?
2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).