2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide

C19H24N2O — CID 58739161

IUPAC2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide
SMILESCCCC(C)C(=O)N[C@@H](C)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C19H24N2O/c1-4-7-14(2)19(22)21-15(3)16-8-5-9-17(12-16)18-10-6-11-20-13-18/h5-6,8-15H,4,7H2,1-3H3,(H,21,22)/t14?,15-/m0/s1
InChIKeyZCWJNYKTUWZFFX-LOACHALJSA-N
MW296.41 g/mol
LogP4.36
Rot. Bonds6

About 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide

2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide (PubChem CID 58739161) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide
PubChem CID58739161
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide
SMILESCCCC(C)C(=O)N[C@@H](C)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C19H24N2O/c1-4-7-14(2)19(22)21-15(3)16-8-5-9-17(12-16)18-10-6-11-20-13-18/h5-6,8-15H,4,7H2,1-3H3,(H,21,22)/t14?,15-/m0/s1
InChIKeyZCWJNYKTUWZFFX-LOACHALJSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
3-(ethylamino)-2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404636
3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide
CID 58739189
(2R)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 58739173
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
N-methyl-1-(3-pyridin-3-ylphenyl)propan-1-amine
CID 54911968
2-(N'-hydroxycarbamimidoyl)-N-(1-pyridin-3-ylethyl)pentanamide
CID 76925943
N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404441
2-bromo-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404667
2-bromo-3-methyl-N-(1-pyridin-3-ylethyl)butanamide
CID 43523148
N'-(2-methylpentanoyl)pyridine-3-carbohydrazide
CID 78780746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide (CID 58739161) is 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide is CCCC(C)C(=O)N[C@@H](C)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide?
The InChIKey is ZCWJNYKTUWZFFX-LOACHALJSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-7-14(2)19(22)21-15(3)16-8-5-9-17(12-16)18-10-6-11-20-13-18/h5-6,8-15H,4,7H2,1-3H3,(H,21,22)/t14?,15-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide?
2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide has a molecular weight of 296.41 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]pentanamide is sourced from PubChem (CID 58739161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).