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

C18H17N5O2 — CID 109259038

IUPACN-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3cccnc3)nc2)cc1
InChIInChI=1S/C18H17N5O2/c1-25-16-6-4-15(5-7-16)23-17(24)14-11-21-18(22-12-14)20-10-13-3-2-8-19-9-13/h2-9,11-12H,10H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyVYMXFDYTDFSSMV-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.74
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109259038) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109259038
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(NCc3cccnc3)nc2)cc1
InChIInChI=1S/C18H17N5O2/c1-25-16-6-4-15(5-7-16)23-17(24)14-11-21-18(22-12-14)20-10-13-3-2-8-19-9-13/h2-9,11-12H,10H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyVYMXFDYTDFSSMV-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

N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109258158
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259024
N-(5-methyl-1,2-oxazol-3-yl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259097
2-(butylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109248366
methyl 4-[[2-(benzylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109255488
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide (CID 109259038) is N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(NCc3cccnc3)nc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is VYMXFDYTDFSSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-16-6-4-15(5-7-16)23-17(24)14-11-21-18(22-12-14)20-10-13-3-2-8-19-9-13/h2-9,11-12H,10H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-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)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).