2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide

C15H24N4O2 — CID 63869356

IUPAC2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCCOC1CCC(N)CC1
InChIInChI=1S/C15H24N4O2/c16-11-4-6-12(7-5-11)21-10-2-9-19-15-13(14(17)20)3-1-8-18-15/h1,3,8,11-12H,2,4-7,9-10,16H2,(H2,17,20)(H,18,19)
InChIKeyPMKUXGSQBCIIPA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.27
Rot. Bonds7

About 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide

2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide (PubChem CID 63869356) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
PubChem CID63869356
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NCCCOC1CCC(N)CC1
InChIInChI=1S/C15H24N4O2/c16-11-4-6-12(7-5-11)21-10-2-9-19-15-13(14(17)20)3-1-8-18-15/h1,3,8,11-12H,2,4-7,9-10,16H2,(H2,17,20)(H,18,19)
InChIKeyPMKUXGSQBCIIPA-UHFFFAOYSA-N
XLogP1.27
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide
CID 63870860
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
CID 63871182
N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
CID 63870698
N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine
CID 106876136
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[(4-hydroxycyclohexyl)methylamino]pyridine-3-carboxamide
CID 114147498
ethyl 2-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxylate
CID 63870177
ethyl 2-(3-cyclopropylpropylamino)pyridine-3-carboxylate
CID 104695510
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide (CID 63869356) is 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide is NC(=O)c1cccnc1NCCCOC1CCC(N)CC1.
What is the InChIKey of 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide?
The InChIKey is PMKUXGSQBCIIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c16-11-4-6-12(7-5-11)21-10-2-9-19-15-13(14(17)20)3-1-8-18-15/h1,3,8,11-12H,2,4-7,9-10,16H2,(H2,17,20)(H,18,19).
What are the key properties of 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide?
2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide is sourced from PubChem (CID 63869356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).