(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide

C15H23ClN4O — CID 119895623

IUPAC(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C15H23ClN4O/c1-10(2)8-13(17)15(21)19-11-5-7-20(9-11)14-12(16)4-3-6-18-14/h3-4,6,10-11,13H,5,7-9,17H2,1-2H3,(H,19,21)/t11?,13-/m0/s1
InChIKeyWZEBTSHNQPTALF-YUZLPWPTSA-N
MW310.83 g/mol
LogP1.80
Rot. Bonds5

About (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide

(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide (PubChem CID 119895623) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
PubChem CID119895623
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C15H23ClN4O/c1-10(2)8-13(17)15(21)19-11-5-7-20(9-11)14-12(16)4-3-6-18-14/h3-4,6,10-11,13H,5,7-9,17H2,1-2H3,(H,19,21)/t11?,13-/m0/s1
InChIKeyWZEBTSHNQPTALF-YUZLPWPTSA-N
XLogP1.80
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-4-methylpentanamide;dihydrochloride
CID 119899554
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
(2S)-2-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119884424
3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
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N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-(diethylamino)pyrrolidine-1-carboxamide
CID 166217431
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
(2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120801200
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
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CID 97074230
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-(triazol-1-yl)benzamide
CID 155945136
1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992660
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide (CID 119895623) is (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC1CCN(c2ncccc2Cl)C1.
What is the InChIKey of (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide?
The InChIKey is WZEBTSHNQPTALF-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-10(2)8-13(17)15(21)19-11-5-7-20(9-11)14-12(16)4-3-6-18-14/h3-4,6,10-11,13H,5,7-9,17H2,1-2H3,(H,19,21)/t11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide?
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide has a molecular weight of 310.83 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide is sourced from PubChem (CID 119895623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).