N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C14H22N4O — CID 119505612

IUPACN-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCNCCNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-2-15-7-8-16-14(19)12-5-6-13(17-11-12)18-9-3-4-10-18/h5-6,11,15H,2-4,7-10H2,1H3,(H,16,19)
InChIKeyDTVKXKNDFLVVNA-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.02
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 119505612) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID119505612
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCNCCNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-2-15-7-8-16-14(19)12-5-6-13(17-11-12)18-9-3-4-10-18/h5-6,11,15H,2-4,7-10H2,1H3,(H,16,19)
InChIKeyDTVKXKNDFLVVNA-UHFFFAOYSA-N
XLogP1.02
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.02
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)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-[2-(ethylamino)ethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119507752
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833
6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide
CID 37109544
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 119505612) is N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is CCNCCNC(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is DTVKXKNDFLVVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-15-7-8-16-14(19)12-5-6-13(17-11-12)18-9-3-4-10-18/h5-6,11,15H,2-4,7-10H2,1H3,(H,16,19).
What are the key properties of N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 119505612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).