N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C12H12N4O3 — CID 137147431

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(=O)[nH]cn2)cn1
InChIInChI=1S/C12H12N4O3/c1-19-11-3-2-8(5-13-11)6-14-12(18)9-4-10(17)16-7-15-9/h2-5,7H,6H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyOBTXIYXSCAPGQX-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.10
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137147431) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137147431
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(=O)[nH]cn2)cn1
InChIInChI=1S/C12H12N4O3/c1-19-11-3-2-8(5-13-11)6-14-12(18)9-4-10(17)16-7-15-9/h2-5,7H,6H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyOBTXIYXSCAPGQX-UHFFFAOYSA-N
XLogP0.10
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261569
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 113264929
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide
CID 107029142
6-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 113323529
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137147431) is N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is COc1ccc(CNC(=O)c2cc(=O)[nH]cn2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is OBTXIYXSCAPGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-11-3-2-8(5-13-11)6-14-12(18)9-4-10(17)16-7-15-9/h2-5,7H,6H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137147431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).