N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

C28H30N4O2 — CID 129142501

IUPACN-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C28H30N4O2/c33-27(25-10-11-26-29-15-18-32(26)20-25)30-14-4-3-5-21-12-16-31(17-13-21)28(34)24-9-8-22-6-1-2-7-23(22)19-24/h1-2,6-11,15,18-21H,3-5,12-14,16-17H2,(H,30,33)
InChIKeyNKWJUPJPLHNDRF-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.94
Rot. Bonds7

About N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 129142501) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID129142501
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1ccc2nccn2c1
InChIInChI=1S/C28H30N4O2/c33-27(25-10-11-26-29-15-18-32(26)20-25)30-14-4-3-5-21-12-16-31(17-13-21)28(34)24-9-8-22-6-1-2-7-23(22)19-24/h1-2,6-11,15,18-21H,3-5,12-14,16-17H2,(H,30,33)
InChIKeyNKWJUPJPLHNDRF-UHFFFAOYSA-N
XLogP4.94
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70984745
N-[4-[1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983749
N-[4-[1-(2,5-dimethoxybenzoyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 70983545
N-[4-[1-(2,5-difluorocyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140651913
N-[4-[1-(2-methyl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90381452
N-[4-[1-(4-methyl-1,3-thiazolidine-5-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90381281
N-[4-[1-(4-chloro-2-methoxycyclohexanecarbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140651910
N-[4-[1-(5-fluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 140652040
1-imidazo[1,2-a]pyridin-6-yl-6-[1-(1H-indole-5-carbonyl)piperidin-4-yl]hexan-1-one
CID 146900861
N-(3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 110704012
imidazo[1,2-a]pyridin-6-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612790
N-[2-(cycloheptylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide;dihydrochloride
CID 119619984

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 129142501) is N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCCCCC1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1ccc2nccn2c1.
What is the InChIKey of N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NKWJUPJPLHNDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c33-27(25-10-11-26-29-15-18-32(26)20-25)30-14-4-3-5-21-12-16-31(17-13-21)28(34)24-9-8-22-6-1-2-7-23(22)19-24/h1-2,6-11,15,18-21H,3-5,12-14,16-17H2,(H,30,33).
What are the key properties of N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(naphthalene-2-carbonyl)piperidin-4-yl]butyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 129142501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).