N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C13H20N4O — CID 119407815

IUPACN-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESNCCCNC(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C13H20N4O/c14-6-4-8-16-13(18)11-5-3-7-15-12(11)17-9-1-2-10-17/h3,5,7H,1-2,4,6,8-10,14H2,(H,16,18)
InChIKeyJDEVHKTZBPAMMV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.76
Rot. Bonds5

About N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 119407815) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID119407815
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESNCCCNC(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C13H20N4O/c14-6-4-8-16-13(18)11-5-3-7-15-12(11)17-9-1-2-10-17/h3,5,7H,1-2,4,6,8-10,14H2,(H,16,18)
InChIKeyJDEVHKTZBPAMMV-UHFFFAOYSA-N
XLogP0.76
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.76
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-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
N-(2-aminoethyl)-2-morpholin-4-ylpyridine-3-carboxamide
CID 119383590
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-[2-(benzenesulfonyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 51123416
2-morpholin-4-yl-N-pentylpyridine-3-carboxamide
CID 36701402
N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55799150
N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60611627
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 119407815) is N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is NCCCNC(=O)c1cccnc1N1CCCC1.
What is the InChIKey of N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is JDEVHKTZBPAMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-6-4-8-16-13(18)11-5-3-7-15-12(11)17-9-1-2-10-17/h3,5,7H,1-2,4,6,8-10,14H2,(H,16,18).
What are the key properties of N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 119407815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).