N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

C17H26N4O2 — CID 91603877

IUPACN-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)C1NC(CN2CCOCC2)=C2C=CC=CN21
InChIInChI=1S/C17H26N4O2/c1-2-3-7-18-17(22)16-19-14(13-20-9-11-23-12-10-20)15-6-4-5-8-21(15)16/h4-6,8,16,19H,2-3,7,9-13H2,1H3,(H,18,22)
InChIKeyIHSQLRHYDBDOLO-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.76
Rot. Bonds6

About N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide

N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 91603877) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID91603877
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)C1NC(CN2CCOCC2)=C2C=CC=CN21
InChIInChI=1S/C17H26N4O2/c1-2-3-7-18-17(22)16-19-14(13-20-9-11-23-12-10-20)15-6-4-5-8-21(15)16/h4-6,8,16,19H,2-3,7,9-13H2,1H3,(H,18,22)
InChIKeyIHSQLRHYDBDOLO-UHFFFAOYSA-N
XLogP0.76
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249272
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
1-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111151367
1-butyl-3-[7-[8-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)naphthalen-2-yl]naphthalen-1-yl]urea
CID 102495352
(3R,5S)-N-butyl-5-(morpholin-4-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 56853685
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
(5R)-N-butyl-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 142669422
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
(1R,2S,3S,4S)-2-N,3-N-dibutylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxamide
CID 92527499
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-[(2,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3912331

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide (CID 91603877) is N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is CCCCNC(=O)C1NC(CN2CCOCC2)=C2C=CC=CN21.
What is the InChIKey of N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is IHSQLRHYDBDOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-2-3-7-18-17(22)16-19-14(13-20-9-11-23-12-10-20)15-6-4-5-8-21(15)16/h4-6,8,16,19H,2-3,7,9-13H2,1H3,(H,18,22).
What are the key properties of N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide?
N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(morpholin-4-ylmethyl)-2,3-dihydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 91603877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).