2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C22H25N5O2 — CID 109308678

IUPAC2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2nccc(C(=O)N(C)CCc3ccncc3)n2)c1
InChIInChI=1S/C22H25N5O2/c1-27(15-10-17-6-11-23-12-7-17)21(28)20-9-14-25-22(26-20)24-13-8-18-4-3-5-19(16-18)29-2/h3-7,9,11-12,14,16H,8,10,13,15H2,1-2H3,(H,24,25,26)
InChIKeyZVBYCOVNAXHKAK-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.85
Rot. Bonds9

About 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109308678) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109308678
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2nccc(C(=O)N(C)CCc3ccncc3)n2)c1
InChIInChI=1S/C22H25N5O2/c1-27(15-10-17-6-11-23-12-7-17)21(28)20-9-14-25-22(26-20)24-13-8-18-4-3-5-19(16-18)29-2/h3-7,9,11-12,14,16H,8,10,13,15H2,1-2H3,(H,24,25,26)
InChIKeyZVBYCOVNAXHKAK-UHFFFAOYSA-N
XLogP2.85
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308681
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
2-[(2-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109306143
N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307463
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309086
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308723
2-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308686
2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carbothioamide
CID 107854625
2-(furan-2-ylmethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109303271
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893824
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109137890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109308678) is 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is COc1cccc(CCNc2nccc(C(=O)N(C)CCc3ccncc3)n2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is ZVBYCOVNAXHKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-27(15-10-17-6-11-23-12-7-17)21(28)20-9-14-25-22(26-20)24-13-8-18-4-3-5-19(16-18)29-2/h3-7,9,11-12,14,16H,8,10,13,15H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109308678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).