N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide

C20H21N5O — CID 133279464

IUPACN-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)NCc2ccccc2)nc(-c2cccnc2)n1
InChIInChI=1S/C20H21N5O/c1-15-12-18(25-20(24-15)17-8-5-10-21-14-17)22-11-9-19(26)23-13-16-6-3-2-4-7-16/h2-8,10,12,14H,9,11,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeySLFDTESIRAOBNY-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.97
Rot. Bonds7

About N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide

N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide (PubChem CID 133279464) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
PubChem CID133279464
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
SMILESCc1cc(NCCC(=O)NCc2ccccc2)nc(-c2cccnc2)n1
InChIInChI=1S/C20H21N5O/c1-15-12-18(25-20(24-15)17-8-5-10-21-14-17)22-11-9-19(26)23-13-16-6-3-2-4-7-16/h2-8,10,12,14H,9,11,13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeySLFDTESIRAOBNY-UHFFFAOYSA-N
XLogP2.97
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide
CID 50982961
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
N-(furan-2-ylmethyl)-3-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 53045799
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50961051
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 94750026
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide (CID 133279464) is N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide is Cc1cc(NCCC(=O)NCc2ccccc2)nc(-c2cccnc2)n1.
What is the InChIKey of N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide?
The InChIKey is SLFDTESIRAOBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-15-12-18(25-20(24-15)17-8-5-10-21-14-17)22-11-9-19(26)23-13-16-6-3-2-4-7-16/h2-8,10,12,14H,9,11,13H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide?
N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 133279464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).