N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide

C22H25N5O — CID 109331197

IUPACN-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(N(C)CCc2ccncc2)n1)c1ccccc1
InChIInChI=1S/C22H25N5O/c1-4-27(19-8-6-5-7-9-19)21(28)20-16-17(2)24-22(25-20)26(3)15-12-18-10-13-23-14-11-18/h5-11,13-14,16H,4,12,15H2,1-3H3
InChIKeyZTOQQMKKHSHTRP-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.53
Rot. Bonds7

About N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide

N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide (PubChem CID 109331197) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide
PubChem CID109331197
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(C)nc(N(C)CCc2ccncc2)n1)c1ccccc1
InChIInChI=1S/C22H25N5O/c1-4-27(19-8-6-5-7-9-19)21(28)20-16-17(2)24-22(25-20)26(3)15-12-18-10-13-23-14-11-18/h5-11,13-14,16H,4,12,15H2,1-3H3
InChIKeyZTOQQMKKHSHTRP-UHFFFAOYSA-N
XLogP3.53
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109329548
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
N-(2,6-dimethylphenyl)-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109331193
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
1-ethyl-3-methyl-1-phenyl-3-(2-pyridin-4-ylethyl)urea
CID 108989280
N-cyclohexyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109322814
2-N,4-N,6-trimethyl-2-N,4-N-bis(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921458
2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109305037
N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964542
4-N-(2,6-diethylphenyl)-2-N,6-dimethyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112921618
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
N-methyl-N-(2-pyridin-4-ylethyl)cinnoline-3-carboxamide
CID 110705070

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide (CID 109331197) is N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(C)nc(N(C)CCc2ccncc2)n1)c1ccccc1.
What is the InChIKey of N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide?
The InChIKey is ZTOQQMKKHSHTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-27(19-8-6-5-7-9-19)21(28)20-16-17(2)24-22(25-20)26(3)15-12-18-10-13-23-14-11-18/h5-11,13-14,16H,4,12,15H2,1-3H3.
What are the key properties of N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide?
N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109331197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).