6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide

C13H19N3O2 — CID 90647648

IUPAC6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCCCC2CCOC2)cn1
InChIInChI=1S/C13H19N3O2/c14-12-4-3-11(8-16-12)13(17)15-6-1-2-10-5-7-18-9-10/h3-4,8,10H,1-2,5-7,9H2,(H2,14,16)(H,15,17)
InChIKeyDPRQDHAQWXUPGI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.21
Rot. Bonds5

About 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide

6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide (PubChem CID 90647648) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide
PubChem CID90647648
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCCCC2CCOC2)cn1
InChIInChI=1S/C13H19N3O2/c14-12-4-3-11(8-16-12)13(17)15-6-1-2-10-5-7-18-9-10/h3-4,8,10H,1-2,5-7,9H2,(H2,14,16)(H,15,17)
InChIKeyDPRQDHAQWXUPGI-UHFFFAOYSA-N
XLogP1.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.21
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

6-amino-N-(3-cyclopentylpropyl)pyridine-3-carboxamide
CID 114137460
6-amino-N-(5-amino-5-oxopentyl)pyridine-3-carboxamide
CID 114162800
4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 125438742
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
3-(4,6-dimethoxypyrimidin-2-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 126448906
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952
6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91769238
6-amino-N-ethylpyridine-3-carboxamide
CID 62073744
oxolan-3-yl 6-aminopyridine-3-carboxylate
CID 63557463
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide (CID 90647648) is 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide is Nc1ccc(C(=O)NCCCC2CCOC2)cn1.
What is the InChIKey of 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide?
The InChIKey is DPRQDHAQWXUPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12-4-3-11(8-16-12)13(17)15-6-1-2-10-5-7-18-9-10/h3-4,8,10H,1-2,5-7,9H2,(H2,14,16)(H,15,17).
What are the key properties of 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide?
6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(oxolan-3-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 90647648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).