N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide

C13H15N3O — CID 90500651

IUPACN-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1cccc1)c1cccnc1
InChIInChI=1S/C13H15N3O/c17-13(12-5-3-6-14-11-12)15-7-4-10-16-8-1-2-9-16/h1-3,5-6,8-9,11H,4,7,10H2,(H,15,17)
InChIKeyNDRAJHLVHFXFJV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.70
Rot. Bonds5

About N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide

N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 90500651) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
PubChem CID90500651
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCn1cccc1)c1cccnc1
InChIInChI=1S/C13H15N3O/c17-13(12-5-3-6-14-11-12)15-7-4-10-16-8-1-2-9-16/h1-3,5-6,8-9,11H,4,7,10H2,(H,15,17)
InChIKeyNDRAJHLVHFXFJV-UHFFFAOYSA-N
XLogP1.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926632
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-octadecylpyridine-3-carboxamide
CID 3547337
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate
CID 25072807
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 30954654
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide (CID 90500651) is N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide is O=C(NCCCn1cccc1)c1cccnc1.
What is the InChIKey of N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is NDRAJHLVHFXFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(12-5-3-6-14-11-12)15-7-4-10-16-8-1-2-9-16/h1-3,5-6,8-9,11H,4,7,10H2,(H,15,17).
What are the key properties of N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide?
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 90500651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).