(2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide

C20H25N3O2 — CID 54279755

IUPAC(2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
SMILESCN[C@@H](Cc1cccnc1)C(=O)NC(Cc1ccc(C)cc1)C(C)=O
InChIInChI=1S/C20H25N3O2/c1-14-6-8-16(9-7-14)11-18(15(2)24)23-20(25)19(21-3)12-17-5-4-10-22-13-17/h4-10,13,18-19,21H,11-12H2,1-3H3,(H,23,25)/t18?,19-/m0/s1
InChIKeyRPZHGBWPNYOWGK-GGYWPGCISA-N
MW339.44 g/mol
LogP1.84
Rot. Bonds8

About (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide

(2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide (PubChem CID 54279755) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
PubChem CID54279755
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
SMILESCN[C@@H](Cc1cccnc1)C(=O)NC(Cc1ccc(C)cc1)C(C)=O
InChIInChI=1S/C20H25N3O2/c1-14-6-8-16(9-7-14)11-18(15(2)24)23-20(25)19(21-3)12-17-5-4-10-22-13-17/h4-10,13,18-19,21H,11-12H2,1-3H3,(H,23,25)/t18?,19-/m0/s1
InChIKeyRPZHGBWPNYOWGK-GGYWPGCISA-N
XLogP1.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
(2S)-4-methyl-2-(methylamino)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]pentanamide
CID 122429933
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 175888348
(2S)-2-(methylamino)-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-oxobutan-2-yl]-3-phenylpropanamide
CID 122467823
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide (CID 54279755) is (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide is CN[C@@H](Cc1cccnc1)C(=O)NC(Cc1ccc(C)cc1)C(C)=O.
What is the InChIKey of (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is RPZHGBWPNYOWGK-GGYWPGCISA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-6-8-16(9-7-14)11-18(15(2)24)23-20(25)19(21-3)12-17-5-4-10-22-13-17/h4-10,13,18-19,21H,11-12H2,1-3H3,(H,23,25)/t18?,19-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide?
(2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-[1-(4-methylphenyl)-3-oxobutan-2-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 54279755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).