N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C13H18N4O — CID 114161360

IUPACN-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESC#CC(CCC)NC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H18N4O/c1-3-5-9(4-2)17-13(18)11-6-10-12(7-14-11)16-8-15-10/h2,8-9,11,14H,3,5-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyMQEBYDOJSIVBMN-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.34
Rot. Bonds4

About N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 114161360) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID114161360
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESC#CC(CCC)NC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C13H18N4O/c1-3-5-9(4-2)17-13(18)11-6-10-12(7-14-11)16-8-15-10/h2,8-9,11,14H,3,5-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyMQEBYDOJSIVBMN-UHFFFAOYSA-N
XLogP0.34
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 114161360) is N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is C#CC(CCC)NC(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is MQEBYDOJSIVBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-5-9(4-2)17-13(18)11-6-10-12(7-14-11)16-8-15-10/h2,8-9,11,14H,3,5-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 114161360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).