N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

C16H26N4O — CID 84574612

IUPACN-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C16H26N4O/c1-3-19(4-2)12-9-18-16(21)14-7-8-17-15(13-14)20-10-5-6-11-20/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,21)
InChIKeyVQDUSEMUGPZWDF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide

N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 84574612) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID84574612
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C16H26N4O/c1-3-19(4-2)12-9-18-16(21)14-7-8-17-15(13-14)20-10-5-6-11-20/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,21)
InChIKeyVQDUSEMUGPZWDF-UHFFFAOYSA-N
XLogP1.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
CID 117090636
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
2-amino-N-[2-(diethylamino)ethyl]pyridine-4-carboxamide
CID 62156406
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 84574449
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 87953358
2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574689
N-[2-[benzyl(ethyl)amino]ethyl]-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098736
N-[2-(diethylamino)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 78773962
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 86899195
N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
CID 11081863

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 84574612) is N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is CCN(CC)CCNC(=O)c1ccnc(N2CCCC2)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is VQDUSEMUGPZWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-19(4-2)12-9-18-16(21)14-7-8-17-15(13-14)20-10-5-6-11-20/h7-8,13H,3-6,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 84574612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).