N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C14H24N4O2 — CID 106116635

IUPACN-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCC(CCO)CNC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H24N4O2/c1-2-3-10(4-5-19)7-16-14(20)12-6-11-13(8-15-12)18-9-17-11/h9-10,12,15,19H,2-8H2,1H3,(H,16,20)(H,17,18)
InChIKeyZCTAMYDFUSUNHN-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.34
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 106116635) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
PubChem CID106116635
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
SMILESCCCC(CCO)CNC(=O)C1Cc2nc[nH]c2CN1
InChIInChI=1S/C14H24N4O2/c1-2-3-10(4-5-19)7-16-14(20)12-6-11-13(8-15-12)18-9-17-11/h9-10,12,15,19H,2-8H2,1H3,(H,16,20)(H,17,18)
InChIKeyZCTAMYDFUSUNHN-UHFFFAOYSA-N
XLogP0.34
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 106116635) is N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is CCCC(CCO)CNC(=O)C1Cc2nc[nH]c2CN1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is ZCTAMYDFUSUNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-3-10(4-5-19)7-16-14(20)12-6-11-13(8-15-12)18-9-17-11/h9-10,12,15,19H,2-8H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 106116635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).