N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide

C15H25N3O2 — CID 82946727

IUPACN-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCCOCCC
InChIInChI=1S/C15H25N3O2/c1-3-8-16-14-13(7-5-9-17-14)15(19)18-10-6-12-20-11-4-2/h5,7,9H,3-4,6,8,10-12H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyULZCCMGMQJHNNH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.45
Rot. Bonds10

About N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide

N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 82946727) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID82946727
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCCOCCC
InChIInChI=1S/C15H25N3O2/c1-3-8-16-14-13(7-5-9-17-14)15(19)18-10-6-12-20-11-4-2/h5,7,9H,3-4,6,8,10-12H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyULZCCMGMQJHNNH-UHFFFAOYSA-N
XLogP2.45
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.45
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-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522
N-(3-ethoxypropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62243078
2-(3-butoxypropylamino)pyridine-3-carboxylic acid
CID 82341813
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
CID 79557910
2-(propylamino)pyridine-3-carboxylate
CID 22068597
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636
3-[3-(2-methoxyethoxy)propoxymethyl]-N-propylpyridin-2-amine
CID 103405422

Frequently Asked Questions

What is the IUPAC name of N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide (CID 82946727) is N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCCCOCCC.
What is the InChIKey of N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is ULZCCMGMQJHNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-8-16-14-13(7-5-9-17-14)15(19)18-10-6-12-20-11-4-2/h5,7,9H,3-4,6,8,10-12H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide?
N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 82946727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).