N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide

C24H32N6O — CID 57116659

IUPACN-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide
SMILESCCCC(=O)NCCn1c(NC2CCN(Cc3ccccc3)CC2)nc2cccnc21
InChIInChI=1S/C24H32N6O/c1-2-7-22(31)25-14-17-30-23-21(10-6-13-26-23)28-24(30)27-20-11-15-29(16-12-20)18-19-8-4-3-5-9-19/h3-6,8-10,13,20H,2,7,11-12,14-18H2,1H3,(H,25,31)(H,27,28)
InChIKeyUAPOIUHOAGYXKX-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.42
Rot. Bonds9

About N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide

N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide (PubChem CID 57116659) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide
PubChem CID57116659
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide
SMILESCCCC(=O)NCCn1c(NC2CCN(Cc3ccccc3)CC2)nc2cccnc21
InChIInChI=1S/C24H32N6O/c1-2-7-22(31)25-14-17-30-23-21(10-6-13-26-23)28-24(30)27-20-11-15-29(16-12-20)18-19-8-4-3-5-9-19/h3-6,8-10,13,20H,2,7,11-12,14-18H2,1H3,(H,25,31)(H,27,28)
InChIKeyUAPOIUHOAGYXKX-UHFFFAOYSA-N
XLogP3.42
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethylamino]acetic acid
CID 23042003
1-[4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)amino]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 23345144
N-(1-benzylpiperidin-4-yl)-4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189852
1-(4-fluorophenyl)-4-[4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidin-1-yl]butan-1-one
CID 12891588
3-(2-ethoxyethyl)-N-(1-prop-2-enylpiperidin-4-yl)imidazo[4,5-b]pyridin-2-amine;oxalate
CID 23041974
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 71495429
4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid
CID 139831398
ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
CID 14677557
N-[2-[3-[1-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]butanamide
CID 98132249
[9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 16729343
[9-[(1-benzylpiperidin-4-yl)amino]acridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11698881
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)urea
CID 53021717

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide?
The IUPAC name of N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide (CID 57116659) is N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide is CCCC(=O)NCCn1c(NC2CCN(Cc3ccccc3)CC2)nc2cccnc21.
What is the InChIKey of N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide?
The InChIKey is UAPOIUHOAGYXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-2-7-22(31)25-14-17-30-23-21(10-6-13-26-23)28-24(30)27-20-11-15-29(16-12-20)18-19-8-4-3-5-9-19/h3-6,8-10,13,20H,2,7,11-12,14-18H2,1H3,(H,25,31)(H,27,28).
What are the key properties of N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide?
N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide has a molecular weight of 420.56 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(1-benzylpiperidin-4-yl)amino]imidazo[4,5-b]pyridin-3-yl]ethyl]butanamide is sourced from PubChem (CID 57116659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).