3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid

C18H25N5O4 — CID 155870175

IUPAC3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid
SMILESCNC(=O)C1CCc2ncc(CNC(=O)C3(C#N)CCCC3)n2C1.O=CO
InChIInChI=1S/C17H23N5O2.CH2O2/c1-19-15(23)12-4-5-14-20-8-13(22(14)10-12)9-21-16(24)17(11-18)6-2-3-7-17;2-1-3/h8,12H,2-7,9-10H2,1H3,(H,19,23)(H,21,24);1H,(H,2,3)
InChIKeyNYYSTVBVHBGXPM-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.59
Rot. Bonds4

About 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid

3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid (PubChem CID 155870175) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid.

Molecular Properties

Compound Name3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid
PubChem CID155870175
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid
SMILESCNC(=O)C1CCc2ncc(CNC(=O)C3(C#N)CCCC3)n2C1.O=CO
InChIInChI=1S/C17H23N5O2.CH2O2/c1-19-15(23)12-4-5-14-20-8-13(22(14)10-12)9-21-16(24)17(11-18)6-2-3-7-17;2-1-3/h8,12H,2-7,9-10H2,1H3,(H,19,23)(H,21,24);1H,(H,2,3)
InChIKeyNYYSTVBVHBGXPM-UHFFFAOYSA-N
XLogP0.59
TPSA137.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid?
The IUPAC name of 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid (CID 155870175) is 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid.
What is the SMILES notation for 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid?
The canonical SMILES for 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid is CNC(=O)C1CCc2ncc(CNC(=O)C3(C#N)CCCC3)n2C1.O=CO.
What is the InChIKey of 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid?
The InChIKey is NYYSTVBVHBGXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.CH2O2/c1-19-15(23)12-4-5-14-20-8-13(22(14)10-12)9-21-16(24)17(11-18)6-2-3-7-17;2-1-3/h8,12H,2-7,9-10H2,1H3,(H,19,23)(H,21,24);1H,(H,2,3).
What are the key properties of 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid?
3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid has a molecular weight of 375.43 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyanocyclopentanecarbonyl)amino]methyl]-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide;formic acid is sourced from PubChem (CID 155870175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).