N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C19H18N4O3 — CID 72879148

IUPACN-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnc(C)[nH]c2=O)c2ccncc2)cc1
InChIInChI=1S/C19H18N4O3/c1-12-21-11-16(18(24)22-12)19(25)23-17(14-7-9-20-10-8-14)13-3-5-15(26-2)6-4-13/h3-11,17H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyQVNIKHVCJPNTRF-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.00
Rot. Bonds5

About N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 72879148) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID72879148
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2cnc(C)[nH]c2=O)c2ccncc2)cc1
InChIInChI=1S/C19H18N4O3/c1-12-21-11-16(18(24)22-12)19(25)23-17(14-7-9-20-10-8-14)13-3-5-15(26-2)6-4-13/h3-11,17H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyQVNIKHVCJPNTRF-UHFFFAOYSA-N
XLogP2.00
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 72879148) is N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is COc1ccc(C(NC(=O)c2cnc(C)[nH]c2=O)c2ccncc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is QVNIKHVCJPNTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-21-11-16(18(24)22-12)19(25)23-17(14-7-9-20-10-8-14)13-3-5-15(26-2)6-4-13/h3-11,17H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72879148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).