(3R)-3-methyl-N'-quinolin-6-ylpentanediamide

C15H17N3O2 — CID 173104431

IUPAC(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
SMILESC[C@H](CC(N)=O)CC(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O2/c1-10(7-14(16)19)8-15(20)18-12-4-5-13-11(9-12)3-2-6-17-13/h2-6,9-10H,7-8H2,1H3,(H2,16,19)(H,18,20)/t10-/m1/s1
InChIKeyJWESNLQHXYSZHE-SNVBAGLBSA-N
MW271.32 g/mol
LogP2.07
Rot. Bonds5

About (3R)-3-methyl-N'-quinolin-6-ylpentanediamide

(3R)-3-methyl-N'-quinolin-6-ylpentanediamide (PubChem CID 173104431) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R)-3-methyl-N'-quinolin-6-ylpentanediamide.

Molecular Properties

Compound Name(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
PubChem CID173104431
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(3R)-3-methyl-N'-quinolin-6-ylpentanediamide
SMILESC[C@H](CC(N)=O)CC(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C15H17N3O2/c1-10(7-14(16)19)8-15(20)18-12-4-5-13-11(9-12)3-2-6-17-13/h2-6,9-10H,7-8H2,1H3,(H2,16,19)(H,18,20)/t10-/m1/s1
InChIKeyJWESNLQHXYSZHE-SNVBAGLBSA-N
XLogP2.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
(2S)-2-amino-4-methyl-N-quinolin-6-ylpentanamide
CID 14310136
methyl 2-(quinolin-6-ylamino)propanoate
CID 66172945
6-amino-4,4-dimethyl-N-quinolin-6-ylhexanamide
CID 65291463
2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
2-amino-2-ethyl-N-quinolin-6-ylbutanamide
CID 79814610
5-chloro-N-quinolin-6-ylpentanamide
CID 55097309
quinolin-6-ylthiourea
CID 1480925
2-amino-2-methyl-N-quinolin-6-ylpropanamide
CID 62636163
2-amino-2-methyl-N-quinolin-6-ylbutanamide
CID 79811443
2-(cyclopropylmethylamino)-N-quinolin-6-ylacetamide
CID 62634785

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N'-quinolin-6-ylpentanediamide?
The IUPAC name of (3R)-3-methyl-N'-quinolin-6-ylpentanediamide (CID 173104431) is (3R)-3-methyl-N'-quinolin-6-ylpentanediamide.
What is the SMILES notation for (3R)-3-methyl-N'-quinolin-6-ylpentanediamide?
The canonical SMILES for (3R)-3-methyl-N'-quinolin-6-ylpentanediamide is C[C@H](CC(N)=O)CC(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of (3R)-3-methyl-N'-quinolin-6-ylpentanediamide?
The InChIKey is JWESNLQHXYSZHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(7-14(16)19)8-15(20)18-12-4-5-13-11(9-12)3-2-6-17-13/h2-6,9-10H,7-8H2,1H3,(H2,16,19)(H,18,20)/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-N'-quinolin-6-ylpentanediamide?
(3R)-3-methyl-N'-quinolin-6-ylpentanediamide has a molecular weight of 271.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N'-quinolin-6-ylpentanediamide is sourced from PubChem (CID 173104431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).