5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide

C16H25N3O2 — CID 109183067

IUPAC5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-21-11-5-10-17-16(20)15-9-8-14(12-18-15)19-13-6-3-2-4-7-13/h8-9,12-13,19H,2-7,10-11H2,1H3,(H,17,20)
InChIKeyRWFAEXMGLSWNTO-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.59
Rot. Bonds7

About 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide

5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109183067) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109183067
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(NC2CCCCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-21-11-5-10-17-16(20)15-9-8-14(12-18-15)19-13-6-3-2-4-7-13/h8-9,12-13,19H,2-7,10-11H2,1H3,(H,17,20)
InChIKeyRWFAEXMGLSWNTO-UHFFFAOYSA-N
XLogP2.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-(cycloheptylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185339
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
5-(cycloheptylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181080
5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109193613
5-(cyclohexylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179444
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
2-(cycloheptylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251731
N-[2-(4-chlorophenyl)ethyl]-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182393

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109183067) is 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1ccc(NC2CCCCC2)cn1.
What is the InChIKey of 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is RWFAEXMGLSWNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-11-5-10-17-16(20)15-9-8-14(12-18-15)19-13-6-3-2-4-7-13/h8-9,12-13,19H,2-7,10-11H2,1H3,(H,17,20).
What are the key properties of 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide?
5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109183067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).