N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide

C14H16N4O — CID 140508292

IUPACN-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
SMILESCCN(C)c1cccc(NC(=O)c2ccncn2)c1
InChIInChI=1S/C14H16N4O/c1-3-18(2)12-6-4-5-11(9-12)17-14(19)13-7-8-15-10-16-13/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyODBUZFQBBORZPW-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.18
Rot. Bonds4

About N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide

N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide (PubChem CID 140508292) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
PubChem CID140508292
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide
SMILESCCN(C)c1cccc(NC(=O)c2ccncn2)c1
InChIInChI=1S/C14H16N4O/c1-3-18(2)12-6-4-5-11(9-12)17-14(19)13-7-8-15-10-16-13/h4-10H,3H2,1-2H3,(H,17,19)
InChIKeyODBUZFQBBORZPW-UHFFFAOYSA-N
XLogP2.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
N-[3-[ethyl(methyl)amino]phenyl]butanamide
CID 91181927
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517
N-[3-[ethyl(methyl)amino]phenyl]-2-phenylbenzamide
CID 47089077
N-[3-(diethylaminomethyl)-4-hydroxyphenyl]pyrimidine-4-carboxamide
CID 161147787
N-(3-nitrophenyl)pyrimidine-4-carboxamide
CID 140508331
N-[3-[ethyl(methyl)amino]phenyl]-2-methylsulfonylpropanamide
CID 71934917
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314
N-(2-chloro-4-pyridinyl)pyrimidine-4-carboxamide
CID 140508287
N-[3-[ethyl(methyl)amino]phenyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 47089076

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide (CID 140508292) is N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide is CCN(C)c1cccc(NC(=O)c2ccncn2)c1.
What is the InChIKey of N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide?
The InChIKey is ODBUZFQBBORZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-18(2)12-6-4-5-11(9-12)17-14(19)13-7-8-15-10-16-13/h4-10H,3H2,1-2H3,(H,17,19).
What are the key properties of N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide?
N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(methyl)amino]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 140508292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).