2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine

C19H31N5 — CID 89035296

IUPAC2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine
SMILES[H]/N=C(\CCC1CCNCC1)c1c(N)ccnc1NC1CCCCC1
InChIInChI=1S/C19H31N5/c20-16(7-6-14-8-11-22-12-9-14)18-17(21)10-13-23-19(18)24-15-4-2-1-3-5-15/h10,13-15,20,22H,1-9,11-12H2,(H3,21,23,24)/b20-16+
InChIKeyFWZBNWNRVBCWRY-CAPFRKAQSA-N
MW329.49 g/mol
LogP3.56
Rot. Bonds6

About 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine

2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine (PubChem CID 89035296) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine
PubChem CID89035296
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine
SMILES[H]/N=C(\CCC1CCNCC1)c1c(N)ccnc1NC1CCCCC1
InChIInChI=1S/C19H31N5/c20-16(7-6-14-8-11-22-12-9-14)18-17(21)10-13-23-19(18)24-15-4-2-1-3-5-15/h10,13-15,20,22H,1-9,11-12H2,(H3,21,23,24)/b20-16+
InChIKeyFWZBNWNRVBCWRY-CAPFRKAQSA-N
XLogP3.56
TPSA86.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine (CID 89035296) is 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine is [H]/N=C(\CCC1CCNCC1)c1c(N)ccnc1NC1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine?
The InChIKey is FWZBNWNRVBCWRY-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H31N5/c20-16(7-6-14-8-11-22-12-9-14)18-17(21)10-13-23-19(18)24-15-4-2-1-3-5-15/h10,13-15,20,22H,1-9,11-12H2,(H3,21,23,24)/b20-16+.
What are the key properties of 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine?
2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine has a molecular weight of 329.49 g/mol, XLogP of 3.56, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-3-(3-piperidin-4-ylpropanimidoyl)pyridine-2,4-diamine is sourced from PubChem (CID 89035296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).