N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide

C19H18N4O2 — CID 121167614

IUPACN-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)ncn1
InChIInChI=1S/C19H18N4O2/c1-2-25-18-12-16(21-14-22-18)19(24)23(17-10-6-7-11-20-17)13-15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeyDYGJFJAMKPBKRM-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.12
Rot. Bonds6

About N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide

N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide (PubChem CID 121167614) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide
PubChem CID121167614
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)ncn1
InChIInChI=1S/C19H18N4O2/c1-2-25-18-12-16(21-14-22-18)19(24)23(17-10-6-7-11-20-17)13-15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeyDYGJFJAMKPBKRM-UHFFFAOYSA-N
XLogP3.12
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
CID 121018154
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
3-ethoxy-N-[(4-ethylphenyl)methyl]-N-pyridin-2-ylbenzamide
CID 17012477
N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide
CID 1124076
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
N-ethyl-6-methoxy-N-phenylpyrimidine-4-carboxamide
CID 121167323
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 71791832
N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide
CID 84596527
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
ethyl 1-benzyl-4-[benzyl(pyridin-2-yl)carbamoyl]-3,5-dimethylpyrrole-2-carboxylate
CID 43954525
N-[(4-tert-butylphenyl)methyl]-5-phenyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 139583066
N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536819

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide (CID 121167614) is N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide is CCOc1cc(C(=O)N(Cc2ccccc2)c2ccccn2)ncn1.
What is the InChIKey of N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide?
The InChIKey is DYGJFJAMKPBKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-2-25-18-12-16(21-14-22-18)19(24)23(17-10-6-7-11-20-17)13-15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3.
What are the key properties of N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide?
N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 121167614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).