N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C20H21N5O — CID 109307019

IUPACN-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCc2ccccn2)n1)c1cccc(C)c1
InChIInChI=1S/C20H21N5O/c1-3-25(17-9-6-7-15(2)13-17)19(26)18-10-12-22-20(24-18)23-14-16-8-4-5-11-21-16/h4-13H,3,14H2,1-2H3,(H,22,23,24)
InChIKeyXCCXEHWPYAXNOP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.46
Rot. Bonds6

About N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109307019) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109307019
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCc2ccccn2)n1)c1cccc(C)c1
InChIInChI=1S/C20H21N5O/c1-3-25(17-9-6-7-15(2)13-17)19(26)18-10-12-22-20(24-18)23-14-16-8-4-5-11-21-16/h4-13H,3,14H2,1-2H3,(H,22,23,24)
InChIKeyXCCXEHWPYAXNOP-UHFFFAOYSA-N
XLogP3.46
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296103
N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109299782
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
N-ethyl-2-(3-methoxypropylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109300149
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109055053
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
2-(3,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109318089
N-ethyl-6-methyl-N-(3-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327446
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109307019) is N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(NCc2ccccn2)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is XCCXEHWPYAXNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-3-25(17-9-6-7-15(2)13-17)19(26)18-10-12-22-20(24-18)23-14-16-8-4-5-11-21-16/h4-13H,3,14H2,1-2H3,(H,22,23,24).
What are the key properties of N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109307019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).