N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide

C18H16N4O2 — CID 121167810

IUPACN-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(OCc3ccccc3)ncn2)n1
InChIInChI=1S/C18H16N4O2/c1-13-6-5-9-16(21-13)22-18(23)15-10-17(20-12-19-15)24-11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeySPYCDYQCLFRBDW-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.01
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide

N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide (PubChem CID 121167810) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
PubChem CID121167810
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(OCc3ccccc3)ncn2)n1
InChIInChI=1S/C18H16N4O2/c1-13-6-5-9-16(21-13)22-18(23)15-10-17(20-12-19-15)24-11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeySPYCDYQCLFRBDW-UHFFFAOYSA-N
XLogP3.01
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167837
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167926
N-(3-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167809
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
N-(6-methyl-2-pyridinyl)-4-phenylmethoxybenzamide
CID 35036020
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 91816331
ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167835
N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167981
methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
N-(1,3-benzothiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167812
N-[2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 121168037
N-[2-(3-methoxyphenyl)ethyl]-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167899

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide (CID 121167810) is N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(OCc3ccccc3)ncn2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide?
The InChIKey is SPYCDYQCLFRBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13-6-5-9-16(21-13)22-18(23)15-10-17(20-12-19-15)24-11-14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,21,22,23).
What are the key properties of N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide?
N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).