N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide

C14H20N4O — CID 70227123

IUPACN-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
SMILESCC/N=C(\N)NC(=O)c1cnc2c(c1)CCCCC2
InChIInChI=1S/C14H20N4O/c1-2-16-14(15)18-13(19)11-8-10-6-4-3-5-7-12(10)17-9-11/h8-9H,2-7H2,1H3,(H3,15,16,18,19)
InChIKeyKALYJDSOEWGPHF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.41
Rot. Bonds2

About N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide

N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide (PubChem CID 70227123) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
PubChem CID70227123
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
SMILESCC/N=C(\N)NC(=O)c1cnc2c(c1)CCCCC2
InChIInChI=1S/C14H20N4O/c1-2-16-14(15)18-13(19)11-8-10-6-4-3-5-7-12(10)17-9-11/h8-9H,2-7H2,1H3,(H3,15,16,18,19)
InChIKeyKALYJDSOEWGPHF-UHFFFAOYSA-N
XLogP1.41
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide?
The IUPAC name of N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide (CID 70227123) is N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide is CC/N=C(\N)NC(=O)c1cnc2c(c1)CCCCC2.
What is the InChIKey of N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide?
The InChIKey is KALYJDSOEWGPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-16-14(15)18-13(19)11-8-10-6-4-3-5-7-12(10)17-9-11/h8-9H,2-7H2,1H3,(H3,15,16,18,19).
What are the key properties of N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide?
N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-ethylcarbamimidoyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide is sourced from PubChem (CID 70227123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).