N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C18H17N5O2 — CID 109349642

IUPACN-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCc3ccccn3)ncn2)cc1
InChIInChI=1S/C18H17N5O2/c1-25-15-7-5-13(6-8-15)23-18(24)16-10-17(22-12-21-16)20-11-14-4-2-3-9-19-14/h2-10,12H,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeySXYGZPMDQIUTIS-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.74
Rot. Bonds6

About N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109349642) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109349642
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(NCc3ccccn3)ncn2)cc1
InChIInChI=1S/C18H17N5O2/c1-25-15-7-5-13(6-8-15)23-18(24)16-10-17(22-12-21-16)20-11-14-4-2-3-9-19-14/h2-10,12H,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeySXYGZPMDQIUTIS-UHFFFAOYSA-N
XLogP2.74
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349110
N-(3-methoxyphenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370787
N-(4-methoxyphenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235142
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349631
N-(2,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349686
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171760
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358931

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109349642) is N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(NCc3ccccn3)ncn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is SXYGZPMDQIUTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-15-7-5-13(6-8-15)23-18(24)16-10-17(22-12-21-16)20-11-14-4-2-3-9-19-14/h2-10,12H,11H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).