N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

C18H16ClN5O2 — CID 109258745

IUPACN-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3ccccn3)nc2)cc1Cl
InChIInChI=1S/C18H16ClN5O2/c1-26-16-6-5-13(8-15(16)19)24-17(25)12-9-21-18(22-10-12)23-11-14-4-2-3-7-20-14/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyOWZPRUBYOHPECA-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.40
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109258745) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109258745
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3ccccn3)nc2)cc1Cl
InChIInChI=1S/C18H16ClN5O2/c1-26-16-6-5-13(8-15(16)19)24-17(25)12-9-21-18(22-10-12)23-11-14-4-2-3-7-20-14/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyOWZPRUBYOHPECA-UHFFFAOYSA-N
XLogP3.40
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-chloro-4-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047587
methyl 4-[[2-(pyridin-2-ylmethylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109258769
N-(2-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258736
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258753
N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157742
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-(3-chloro-4-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109257939
N-(4-propan-2-yloxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258756
N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109269304
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
2-(3-chloro-4-methoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109267919
2-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109256823

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109258745) is N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(NCc3ccccn3)nc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is OWZPRUBYOHPECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-26-16-6-5-13(8-15(16)19)24-17(25)12-9-21-18(22-10-12)23-11-14-4-2-3-7-20-14/h2-10H,11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).