(2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide

C17H24N4O — CID 97135605

IUPAC(2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide
SMILESCN(Cc1cnc2ccccn12)C(=O)[C@@H]1CCCCCN1C
InChIInChI=1S/C17H24N4O/c1-19-10-6-3-4-8-15(19)17(22)20(2)13-14-12-18-16-9-5-7-11-21(14)16/h5,7,9,11-12,15H,3-4,6,8,10,13H2,1-2H3/t15-/m0/s1
InChIKeyYGKWZQVGTUOSEI-HNNXBMFYSA-N
MW300.41 g/mol
LogP2.17
Rot. Bonds3

About (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide

(2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide (PubChem CID 97135605) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide
PubChem CID97135605
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide
SMILESCN(Cc1cnc2ccccn12)C(=O)[C@@H]1CCCCCN1C
InChIInChI=1S/C17H24N4O/c1-19-10-6-3-4-8-15(19)17(22)20(2)13-14-12-18-16-9-5-7-11-21(14)16/h5,7,9,11-12,15H,3-4,6,8,10,13H2,1-2H3/t15-/m0/s1
InChIKeyYGKWZQVGTUOSEI-HNNXBMFYSA-N
XLogP2.17
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide?
The IUPAC name of (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide (CID 97135605) is (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide.
What is the SMILES notation for (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide?
The canonical SMILES for (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide is CN(Cc1cnc2ccccn12)C(=O)[C@@H]1CCCCCN1C.
What is the InChIKey of (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide?
The InChIKey is YGKWZQVGTUOSEI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-19-10-6-3-4-8-15(19)17(22)20(2)13-14-12-18-16-9-5-7-11-21(14)16/h5,7,9,11-12,15H,3-4,6,8,10,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide?
(2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,1-dimethylazepane-2-carboxamide is sourced from PubChem (CID 97135605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).