5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C17H25N3O2 — CID 109183069

IUPAC5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C17H25N3O2/c21-17(19-12-15-7-4-10-22-15)16-9-8-14(11-18-16)20-13-5-2-1-3-6-13/h8-9,11,13,15,20H,1-7,10,12H2,(H,19,21)
InChIKeyIVXNEJUYEOTGSB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.73
Rot. Bonds5

About 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109183069) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109183069
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C17H25N3O2/c21-17(19-12-15-7-4-10-22-15)16-9-8-14(11-18-16)20-13-5-2-1-3-6-13/h8-9,11,13,15,20H,1-7,10,12H2,(H,19,21)
InChIKeyIVXNEJUYEOTGSB-UHFFFAOYSA-N
XLogP2.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
N-(oxolan-2-ylmethyl)-5-phenylpyridine-2-carboxamide
CID 110683568
5-[(2-fluorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184938
5-(2-morpholin-4-ylethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109184925
5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
5-(3-acetylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185048
5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181080
5-(oxolan-2-ylmethylamino)-N-phenylpyridine-2-carboxamide
CID 109185172
5-(N'-hydroxycarbamimidoyl)-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 77005035
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109183069) is 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is O=C(NCC1CCCO1)c1ccc(NC2CCCCC2)cn1.
What is the InChIKey of 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is IVXNEJUYEOTGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(19-12-15-7-4-10-22-15)16-9-8-14(11-18-16)20-13-5-2-1-3-6-13/h8-9,11,13,15,20H,1-7,10,12H2,(H,19,21).
What are the key properties of 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109183069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).