6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C21H27FN4O — CID 48680767

IUPAC6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCC2CCN(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C21H27FN4O/c1-3-25(4-2)20-10-5-17(14-23-20)21(27)24-13-16-11-12-26(15-16)19-8-6-18(22)7-9-19/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,24,27)
InChIKeyAWYPOTGUGKLOQR-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.32
Rot. Bonds7

About 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 48680767) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID48680767
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCC2CCN(c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C21H27FN4O/c1-3-25(4-2)20-10-5-17(14-23-20)21(27)24-13-16-11-12-26(15-16)19-8-6-18(22)7-9-19/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,24,27)
InChIKeyAWYPOTGUGKLOQR-UHFFFAOYSA-N
XLogP3.32
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 38441786
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N,N-dimethylbenzamide
CID 126809247
4-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-methylbenzamide
CID 129369399
N-ethyl-4-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-3-methylbenzamide
CID 129369404
6-(dimethylamino)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591154
6-(dimethylamino)-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95591144
N-[[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
CID 97310044
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 110414259
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95149559

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 48680767) is 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)NCC2CCN(c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is AWYPOTGUGKLOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-3-25(4-2)20-10-5-17(14-23-20)21(27)24-13-16-11-12-26(15-16)19-8-6-18(22)7-9-19/h5-10,14,16H,3-4,11-13,15H2,1-2H3,(H,24,27).
What are the key properties of 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide?
6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 48680767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).