N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide

C24H25FN4O — CID 58866660

IUPACN-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
SMILESCN(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cn2)C1
InChIInChI=1S/C24H25FN4O/c1-28(2)22-13-14-29(16-22)23-12-11-21(15-26-23)27-24(30)19-5-3-17(4-6-19)18-7-9-20(25)10-8-18/h3-12,15,22H,13-14,16H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyODHGKVRHLCSSIK-JOCHJYFZSA-N
MW404.49 g/mol
LogP4.28
Rot. Bonds5

About N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide

N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide (PubChem CID 58866660) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
PubChem CID58866660
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
SMILESCN(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cn2)C1
InChIInChI=1S/C24H25FN4O/c1-28(2)22-13-14-29(16-22)23-12-11-21(15-26-23)27-24(30)19-5-3-17(4-6-19)18-7-9-20(25)10-8-18/h3-12,15,22H,13-14,16H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyODHGKVRHLCSSIK-JOCHJYFZSA-N
XLogP4.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(3-fluoro-4-pyridinyl)benzamide
CID 58866428
N-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]quinoxalin-6-yl]-4-[3-(trifluoromethyl)phenyl]benzamide
CID 66551224
tert-butyl N-[1-[5-[(4-butoxybenzoyl)amino]-2-pyridinyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 58867696
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
3-[4-(3,5-difluorophenyl)phenyl]-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-1-methylurea
CID 10114157
5-(4-fluorophenyl)-N-[2-[3-[methyl(2-methylpropanoyl)amino]pyrrolidin-1-yl]quinolin-6-yl]pyrimidine-2-carboxamide
CID 23111873
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
N-[3-(4-cyanophenyl)-2-methylphenyl]-6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 53354707
N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
CID 24794963
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide?
The IUPAC name of N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide (CID 58866660) is N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide is CN(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)cn2)C1.
What is the InChIKey of N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide?
The InChIKey is ODHGKVRHLCSSIK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-28(2)22-13-14-29(16-22)23-12-11-21(15-26-23)27-24(30)19-5-3-17(4-6-19)18-7-9-20(25)10-8-18/h3-12,15,22H,13-14,16H2,1-2H3,(H,27,30)/t22-/m1/s1.
What are the key properties of N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide?
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide has a molecular weight of 404.49 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide is sourced from PubChem (CID 58866660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).