(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide

C17H27N3O2 — CID 110351478

IUPAC(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1cccnc1
InChIInChI=1S/C17H27N3O2/c1-12(2)9-14(20-16(22)17(3,4)5)15(21)19-11-13-7-6-8-18-10-13/h6-8,10,12,14H,9,11H2,1-5H3,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyOFSFZXADOCPBHH-AWEZNQCLSA-N
MW305.42 g/mol
LogP2.27
Rot. Bonds6

About (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide

(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 110351478) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID110351478
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1cccnc1
InChIInChI=1S/C17H27N3O2/c1-12(2)9-14(20-16(22)17(3,4)5)15(21)19-11-13-7-6-8-18-10-13/h6-8,10,12,14H,9,11H2,1-5H3,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyOFSFZXADOCPBHH-AWEZNQCLSA-N
XLogP2.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-2-(pyridin-3-ylmethylamino)pentanamide
CID 43750569
(2S)-4-methyl-2-(2-phenylethylsulfonylamino)-N-(pyridin-3-ylmethyl)pentanamide
CID 110351555
(2S)-2-(butylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351535
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
6-amino-2-methyl-N-(pyridin-3-ylmethyl)heptanamide
CID 65292854
(2R)-2-(4-tert-butylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40609627
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
2-amino-2-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 55078393
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide (CID 110351478) is (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide is CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCc1cccnc1.
What is the InChIKey of (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is OFSFZXADOCPBHH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)9-14(20-16(22)17(3,4)5)15(21)19-11-13-7-6-8-18-10-13/h6-8,10,12,14H,9,11H2,1-5H3,(H,19,21)(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide?
(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 305.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 110351478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).