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

C20H21N5O — CID 94750026

IUPAC(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
SMILESCc1cc(N[C@@H](C)C(=O)NCc2ccccc2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H21N5O/c1-14-12-18(25-19(23-14)17-8-10-21-11-9-17)24-15(2)20(26)22-13-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,22,26)(H,23,24,25)/t15-/m0/s1
InChIKeySKKHAMAFRAFCAB-HNNXBMFYSA-N
MW347.42 g/mol
LogP2.96
Rot. Bonds6

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

(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide (PubChem CID 94750026) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
PubChem CID94750026
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
SMILESCc1cc(N[C@@H](C)C(=O)NCc2ccccc2)nc(-c2ccncc2)n1
InChIInChI=1S/C20H21N5O/c1-14-12-18(25-19(23-14)17-8-10-21-11-9-17)24-15(2)20(26)22-13-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,22,26)(H,23,24,25)/t15-/m0/s1
InChIKeySKKHAMAFRAFCAB-HNNXBMFYSA-N
XLogP2.96
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(butan-2-ylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852514
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 175058891
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 115914717
N-butan-2-yl-2-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide
CID 56785557
N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
CID 133279464
(2S)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 50977879
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
3-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767951
N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
CID 133360082
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide (CID 94750026) is (2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide is Cc1cc(N[C@@H](C)C(=O)NCc2ccccc2)nc(-c2ccncc2)n1.
What is the InChIKey of (2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide?
The InChIKey is SKKHAMAFRAFCAB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-12-18(25-19(23-14)17-8-10-21-11-9-17)24-15(2)20(26)22-13-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,22,26)(H,23,24,25)/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide?
(2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide has a molecular weight of 347.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 94750026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).