N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride

C17H26Cl2N4O — CID 119619984

IUPACN-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCNC1CCCCCC1)c1ccc2nccn2c1
InChIInChI=1S/C17H24N4O.2ClH/c22-17(14-7-8-16-19-11-12-21(16)13-14)20-10-9-18-15-5-3-1-2-4-6-15;;/h7-8,11-13,15,18H,1-6,9-10H2,(H,20,22);2*1H
InChIKeyAGSHLEMWSWOVKO-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride

N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride (PubChem CID 119619984) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
PubChem CID119619984
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC NameN-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCNC1CCCCCC1)c1ccc2nccn2c1
InChIInChI=1S/C17H24N4O.2ClH/c22-17(14-7-8-16-19-11-12-21(16)13-14)20-10-9-18-15-5-3-1-2-4-6-15;;/h7-8,11-13,15,18H,1-6,9-10H2,(H,20,22);2*1H
InChIKeyAGSHLEMWSWOVKO-UHFFFAOYSA-N
XLogP3.22
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018
N-(2-amino-1-cyclohexylethyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119590118
N-(4-aminocyclohexyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 119476017
N-(3-methylbutyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704020
N-(3-piperazin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119392015
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704012
N-[2-(4-chlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110703993
[4-(cyclopropylmethylamino)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119622933
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-(1-benzoylpiperidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 56785318

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride (CID 119619984) is N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCNC1CCCCCC1)c1ccc2nccn2c1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
The InChIKey is AGSHLEMWSWOVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c22-17(14-7-8-16-19-11-12-21(16)13-14)20-10-9-18-15-5-3-1-2-4-6-15;;/h7-8,11-13,15,18H,1-6,9-10H2,(H,20,22);2*1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride?
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride is sourced from PubChem (CID 119619984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).