1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

C16H26N4O3 — CID 155872089

IUPAC1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESCOCCCNC(=O)c1ncn2c1CCC(C(=O)NC(C)C)C2
InChIInChI=1S/C16H26N4O3/c1-11(2)19-15(21)12-5-6-13-14(18-10-20(13)9-12)16(22)17-7-4-8-23-3/h10-12H,4-9H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyJSVBQIVDBPDSAM-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.74
Rot. Bonds7

About 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide

1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (PubChem CID 155872089) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
PubChem CID155872089
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
SMILESCOCCCNC(=O)c1ncn2c1CCC(C(=O)NC(C)C)C2
InChIInChI=1S/C16H26N4O3/c1-11(2)19-15(21)12-5-6-13-14(18-10-20(13)9-12)16(22)17-7-4-8-23-3/h10-12H,4-9H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyJSVBQIVDBPDSAM-UHFFFAOYSA-N
XLogP0.74
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.74
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

1-N-(2-methylbutyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155870992
1-N,1-N-diethyl-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872091
1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872435
6-N-cyclopentyl-1-N-(3-ethoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872222
6-N-cyclobutyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872322
6-N-cyclobutyl-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872544
1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid
CID 155872404
6-N-propan-2-yl-1-N-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155871980
6-N-cyclobutyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155879102
1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872068
6-N-cyclobutyl-1-N,1-N-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155879426
N,N-diethyl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 155871765

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The IUPAC name of 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide (CID 155872089) is 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is COCCCNC(=O)c1ncn2c1CCC(C(=O)NC(C)C)C2.
What is the InChIKey of 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
The InChIKey is JSVBQIVDBPDSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11(2)19-15(21)12-5-6-13-14(18-10-20(13)9-12)16(22)17-7-4-8-23-3/h10-12H,4-9H2,1-3H3,(H,17,22)(H,19,21).
What are the key properties of 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide?
1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide is sourced from PubChem (CID 155872089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).