1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid

C18H28N4O4 — CID 155872404

IUPAC1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid
SMILESCCCCNC(=O)c1ncn2c1CCC(C(=O)NCC1CC1)C2.O=CO
InChIInChI=1S/C17H26N4O2.CH2O2/c1-2-3-8-18-17(23)15-14-7-6-13(10-21(14)11-20-15)16(22)19-9-12-4-5-12;2-1-3/h11-13H,2-10H2,1H3,(H,18,23)(H,19,22);1H,(H,2,3)
InChIKeyXCQUYUFUFVARBX-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.20
Rot. Bonds7

About 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid

1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid (PubChem CID 155872404) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid.

Molecular Properties

Compound Name1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid
PubChem CID155872404
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC Name1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid
SMILESCCCCNC(=O)c1ncn2c1CCC(C(=O)NCC1CC1)C2.O=CO
InChIInChI=1S/C17H26N4O2.CH2O2/c1-2-3-8-18-17(23)15-14-7-6-13(10-21(14)11-20-15)16(22)19-9-12-4-5-12;2-1-3/h11-13H,2-10H2,1H3,(H,18,23)(H,19,22);1H,(H,2,3)
InChIKeyXCQUYUFUFVARBX-UHFFFAOYSA-N
XLogP1.20
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopropyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872068
6-N-(cyclopropylmethyl)-1-N-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid
CID 155873568
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-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872544
1-N-(3-methoxypropyl)-6-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872089
1-N-cyclopentyl-6-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155872435
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-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155879102
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
6-N-cyclobutyl-1-N,1-N-dimethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide
CID 155879426
N-butyl-1-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide
CID 99744388

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid?
The IUPAC name of 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid (CID 155872404) is 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid.
What is the SMILES notation for 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid?
The canonical SMILES for 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid is CCCCNC(=O)c1ncn2c1CCC(C(=O)NCC1CC1)C2.O=CO.
What is the InChIKey of 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid?
The InChIKey is XCQUYUFUFVARBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.CH2O2/c1-2-3-8-18-17(23)15-14-7-6-13(10-21(14)11-20-15)16(22)19-9-12-4-5-12;2-1-3/h11-13H,2-10H2,1H3,(H,18,23)(H,19,22);1H,(H,2,3).
What are the key properties of 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid?
1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid has a molecular weight of 364.45 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-6-N-(cyclopropylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxamide;formic acid is sourced from PubChem (CID 155872404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).