4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide

C14H22N4O — CID 79111622

IUPAC4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide
SMILESCCN(c1ccnc(C(N)=O)c1)C1CCC(N)CC1
InChIInChI=1S/C14H22N4O/c1-2-18(11-5-3-10(15)4-6-11)12-7-8-17-13(9-12)14(16)19/h7-11H,2-6,15H2,1H3,(H2,16,19)
InChIKeyLHHCLYZZIVXNMY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.28
Rot. Bonds4

About 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide

4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide (PubChem CID 79111622) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide
PubChem CID79111622
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide
SMILESCCN(c1ccnc(C(N)=O)c1)C1CCC(N)CC1
InChIInChI=1S/C14H22N4O/c1-2-18(11-5-3-10(15)4-6-11)12-7-8-17-13(9-12)14(16)19/h7-11H,2-6,15H2,1H3,(H2,16,19)
InChIKeyLHHCLYZZIVXNMY-UHFFFAOYSA-N
XLogP1.28
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide?
The IUPAC name of 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide (CID 79111622) is 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide is CCN(c1ccnc(C(N)=O)c1)C1CCC(N)CC1.
What is the InChIKey of 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide?
The InChIKey is LHHCLYZZIVXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-18(11-5-3-10(15)4-6-11)12-7-8-17-13(9-12)14(16)19/h7-11H,2-6,15H2,1H3,(H2,16,19).
What are the key properties of 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide?
4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)-ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 79111622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).