N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide

C20H26N4O — CID 133316637

IUPACN-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(CN2CCCC2)c2ccccc2)nc1
InChIInChI=1S/C20H26N4O/c1-2-21-20(25)17-10-11-19(22-14-17)23-18(15-24-12-6-7-13-24)16-8-4-3-5-9-16/h3-5,8-11,14,18H,2,6-7,12-13,15H2,1H3,(H,21,25)(H,22,23)
InChIKeyOGPATJXZNQLNMZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.08
Rot. Bonds7

About N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide

N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide (PubChem CID 133316637) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide
PubChem CID133316637
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(CN2CCCC2)c2ccccc2)nc1
InChIInChI=1S/C20H26N4O/c1-2-21-20(25)17-10-11-19(22-14-17)23-18(15-24-12-6-7-13-24)16-8-4-3-5-9-16/h3-5,8-11,14,18H,2,6-7,12-13,15H2,1H3,(H,21,25)(H,22,23)
InChIKeyOGPATJXZNQLNMZ-UHFFFAOYSA-N
XLogP3.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133316628
N-methyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-sulfonamide
CID 133316598
N-ethyl-6-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridine-3-carboxamide
CID 133307236
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 62990482
morpholin-4-yl-[6-[[(1R)-1-phenylpropyl]amino]-3-pyridinyl]methanone
CID 135087529
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
5-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]pyrazine-2-carboxamide
CID 95595921
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
N-ethyl-6-hydrazinylpyridine-3-carboxamide
CID 20734038
(1R)-N-ethyl-1-phenyl-2-pyrrolidin-1-ylethanamine;molecular hydrogen
CID 143114287
N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
CID 133414835

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide (CID 133316637) is N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide is CCNC(=O)c1ccc(NC(CN2CCCC2)c2ccccc2)nc1.
What is the InChIKey of N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide?
The InChIKey is OGPATJXZNQLNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-21-20(25)17-10-11-19(22-14-17)23-18(15-24-12-6-7-13-24)16-8-4-3-5-9-16/h3-5,8-11,14,18H,2,6-7,12-13,15H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide?
N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 133316637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).