N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide

C16H27N3O2 — CID 105071243

IUPACN-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCCOCCCNC(=O)c1ccncc1NCCC
InChIInChI=1S/C16H27N3O2/c1-3-5-11-21-12-6-9-19-16(20)14-7-10-17-13-15(14)18-8-4-2/h7,10,13,18H,3-6,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyFBUATCZCUSLQQD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.84
Rot. Bonds11

About N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide

N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105071243) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID105071243
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCCOCCCNC(=O)c1ccncc1NCCC
InChIInChI=1S/C16H27N3O2/c1-3-5-11-21-12-6-9-19-16(20)14-7-10-17-13-15(14)18-8-4-2/h7,10,13,18H,3-6,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyFBUATCZCUSLQQD-UHFFFAOYSA-N
XLogP2.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.84
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

N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071089
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106342677
3-(propylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 105069612
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide (CID 105071243) is N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide is CCCCOCCCNC(=O)c1ccncc1NCCC.
What is the InChIKey of N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is FBUATCZCUSLQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-5-11-21-12-6-9-19-16(20)14-7-10-17-13-15(14)18-8-4-2/h7,10,13,18H,3-6,8-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide?
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.84, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105071243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).