3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide

C19H22N4O2 — CID 96997991

IUPAC3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)c1
InChIInChI=1S/C19H22N4O2/c1-22(2)17-5-3-4-15(12-17)18(24)21-16-8-11-23(13-16)19(25)14-6-9-20-10-7-14/h3-7,9-10,12,16H,8,11,13H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyVNMGVHVBHLALTL-MRXNPFEDSA-N
MW338.41 g/mol
LogP1.79
Rot. Bonds4

About 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide

3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 96997991) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID96997991
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCN(C)c1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)c1
InChIInChI=1S/C19H22N4O2/c1-22(2)17-5-3-4-15(12-17)18(24)21-16-8-11-23(13-16)19(25)14-6-9-20-10-7-14/h3-7,9-10,12,16H,8,11,13H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyVNMGVHVBHLALTL-MRXNPFEDSA-N
XLogP1.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
CID 69360185
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
3-(dimethylamino)-N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]benzamide
CID 110822294
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178515
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-2-ethylbutanamide
CID 110821528
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea
CID 110821537
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108557963
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide (CID 96997991) is 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide is CN(C)c1cccc(C(=O)N[C@@H]2CCN(C(=O)c3ccncc3)C2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is VNMGVHVBHLALTL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22(2)17-5-3-4-15(12-17)18(24)21-16-8-11-23(13-16)19(25)14-6-9-20-10-7-14/h3-7,9-10,12,16H,8,11,13H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide?
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 96997991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).