6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide

C19H18N4O2 — CID 122262059

IUPAC6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2cc(-c3ccccc3)ncn2)cn1
InChIInChI=1S/C19H18N4O2/c1-2-25-18-9-8-15(11-20-18)19(24)21-12-16-10-17(23-13-22-16)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyKPPUEOQLAHIHIJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.87
Rot. Bonds6

About 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide

6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 122262059) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
PubChem CID122262059
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCc2cc(-c3ccccc3)ncn2)cn1
InChIInChI=1S/C19H18N4O2/c1-2-25-18-9-8-15(11-20-18)19(24)21-12-16-10-17(23-13-22-16)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyKPPUEOQLAHIHIJ-UHFFFAOYSA-N
XLogP2.87
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935
6-ethoxy-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 46488664
1-(2-ethoxyphenyl)-3-[(6-phenylpyrimidin-4-yl)methyl]urea
CID 122262121
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262265
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122262550
4-chloro-3-nitro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261964
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
4-oxo-4-phenyl-N-[(6-phenylpyrimidin-4-yl)methyl]butanamide
CID 122261913
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 122354385
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide (CID 122262059) is 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NCc2cc(-c3ccccc3)ncn2)cn1.
What is the InChIKey of 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is KPPUEOQLAHIHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-25-18-9-8-15(11-20-18)19(24)21-12-16-10-17(23-13-22-16)14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H,21,24).
What are the key properties of 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide?
6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 122262059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).