N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C15H21N3O — CID 51969987

IUPACN-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCC[C@H](C)NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-3-4-5-8-12(2)16-15(19)13-11-18-10-7-6-9-14(18)17-13/h6-7,9-12H,3-5,8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyKWEIFGBYSPBTIE-LBPRGKRZSA-N
MW259.35 g/mol
LogP3.03
Rot. Bonds6

About N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 51969987) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID51969987
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCC[C@H](C)NC(=O)c1cn2ccccc2n1
InChIInChI=1S/C15H21N3O/c1-3-4-5-8-12(2)16-15(19)13-11-18-10-7-6-9-14(18)17-13/h6-7,9-12H,3-5,8H2,1-2H3,(H,16,19)/t12-/m0/s1
InChIKeyKWEIFGBYSPBTIE-LBPRGKRZSA-N
XLogP3.03
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(imidazo[1,2-a]pyridine-2-carbonylamino)pentanoic acid
CID 43630934
2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854
N-(1-hydroxybutan-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 43419304
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
CID 61173973
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658
N-[(2S)-butan-2-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 34674868
tert-butyl (2R)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoate
CID 80999369
N-heptan-2-ylquinoline-2-carboxamide
CID 46571103
N-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 51253266
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 51969987) is N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is CCCCC[C@H](C)NC(=O)c1cn2ccccc2n1.
What is the InChIKey of N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KWEIFGBYSPBTIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-5-8-12(2)16-15(19)13-11-18-10-7-6-9-14(18)17-13/h6-7,9-12H,3-5,8H2,1-2H3,(H,16,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-heptan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 51969987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).