2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide

C20H20N4O — CID 72879802

IUPAC2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC(c2ccncc2)c2ccc(C)cc2)cn1
InChIInChI=1S/C20H20N4O/c1-3-18-22-12-17(13-23-18)20(25)24-19(16-8-10-21-11-9-16)15-6-4-14(2)5-7-15/h4-13,19H,3H2,1-2H3,(H,24,25)
InChIKeyNFZUMJKIHVMKGA-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.26
Rot. Bonds5

About 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide

2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide (PubChem CID 72879802) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide
PubChem CID72879802
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC(c2ccncc2)c2ccc(C)cc2)cn1
InChIInChI=1S/C20H20N4O/c1-3-18-22-12-17(13-23-18)20(25)24-19(16-8-10-21-11-9-16)15-6-4-14(2)5-7-15/h4-13,19H,3H2,1-2H3,(H,24,25)
InChIKeyNFZUMJKIHVMKGA-UHFFFAOYSA-N
XLogP3.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[phenyl(pyridin-4-yl)methyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74247011
4-ethoxy-N-[(R)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500203
5-chloro-N-[(4-methylphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56712996
4-methyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-1,2,5-oxadiazole-3-carboxamide
CID 95200610
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 110429323
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 77082497
5-ethyl-2-methyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine
CID 50961322

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide (CID 72879802) is 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NC(c2ccncc2)c2ccc(C)cc2)cn1.
What is the InChIKey of 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide?
The InChIKey is NFZUMJKIHVMKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-18-22-12-17(13-23-18)20(25)24-19(16-8-10-21-11-9-16)15-6-4-14(2)5-7-15/h4-13,19H,3H2,1-2H3,(H,24,25).
What are the key properties of 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide?
2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72879802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).