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

C20H26N4O — CID 46981532

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCN(C)c1ccc(CCNC(=O)c2ccnc(N3CCCC3)c2)cc1
InChIInChI=1S/C20H26N4O/c1-23(2)18-7-5-16(6-8-18)9-11-22-20(25)17-10-12-21-19(15-17)24-13-3-4-14-24/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,22,25)
InChIKeyOEDPBEOLMBHFEK-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.72
Rot. Bonds6

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

N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 46981532) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID46981532
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESCN(C)c1ccc(CCNC(=O)c2ccnc(N3CCCC3)c2)cc1
InChIInChI=1S/C20H26N4O/c1-23(2)18-7-5-16(6-8-18)9-11-22-20(25)17-10-12-21-19(15-17)24-13-3-4-14-24/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,22,25)
InChIKeyOEDPBEOLMBHFEK-UHFFFAOYSA-N
XLogP2.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119549443
N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574612
N-[2-(4-hydroxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 117091113
N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
CID 146083370
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
2-(azepan-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574689
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 84574449
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
4-N-[4-(dimethylamino)phenyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087819

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 46981532) is N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is CN(C)c1ccc(CCNC(=O)c2ccnc(N3CCCC3)c2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is OEDPBEOLMBHFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23(2)18-7-5-16(6-8-18)9-11-22-20(25)17-10-12-21-19(15-17)24-13-3-4-14-24/h5-8,10,12,15H,3-4,9,11,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 46981532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).