N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide

C20H21N5O — CID 109255237

IUPACN-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
SMILESCN(CCc1ccncc1)c1ncc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C20H21N5O/c1-25(12-9-16-7-10-21-11-8-16)20-23-14-18(15-24-20)19(26)22-13-17-5-3-2-4-6-17/h2-8,10-11,14-15H,9,12-13H2,1H3,(H,22,26)
InChIKeyADRIZSHHRUHKPB-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.48
Rot. Bonds7

About N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide

N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide (PubChem CID 109255237) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
PubChem CID109255237
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
SMILESCN(CCc1ccncc1)c1ncc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C20H21N5O/c1-25(12-9-16-7-10-21-11-8-16)20-23-14-18(15-24-20)19(26)22-13-17-5-3-2-4-6-17/h2-8,10-11,14-15H,9,12-13H2,1H3,(H,22,26)
InChIKeyADRIZSHHRUHKPB-UHFFFAOYSA-N
XLogP2.48
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109257591
6-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158287
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109260702
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260714
2-[benzyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109256748
N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260693
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide (CID 109255237) is N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide is CN(CCc1ccncc1)c1ncc(C(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The InChIKey is ADRIZSHHRUHKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-25(12-9-16-7-10-21-11-8-16)20-23-14-18(15-24-20)19(26)22-13-17-5-3-2-4-6-17/h2-8,10-11,14-15H,9,12-13H2,1H3,(H,22,26).
What are the key properties of N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).