6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide

C12H18N4O — CID 58337929

IUPAC6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCC(N)CC2)nc1
InChIInChI=1S/C12H18N4O/c13-9-2-4-10(5-3-9)16-11-6-1-8(7-15-11)12(14)17/h1,6-7,9-10H,2-5,13H2,(H2,14,17)(H,15,16)
InChIKeyBPFSDEYHLCTQGL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.86
Rot. Bonds3

About 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide

6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide (PubChem CID 58337929) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
PubChem CID58337929
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC2CCC(N)CC2)nc1
InChIInChI=1S/C12H18N4O/c13-9-2-4-10(5-3-9)16-11-6-1-8(7-15-11)12(14)17/h1,6-7,9-10H,2-5,13H2,(H2,14,17)(H,15,16)
InChIKeyBPFSDEYHLCTQGL-UHFFFAOYSA-N
XLogP0.86
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide (CID 58337929) is 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide is NC(=O)c1ccc(NC2CCC(N)CC2)nc1.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide?
The InChIKey is BPFSDEYHLCTQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-9-2-4-10(5-3-9)16-11-6-1-8(7-15-11)12(14)17/h1,6-7,9-10H,2-5,13H2,(H2,14,17)(H,15,16).
What are the key properties of 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide?
6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 58337929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).