3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide

C30H28ClN5O2 — CID 166338478

IUPAC3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)NC1(c2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C30H28ClN5O2/c31-25-14-15-27(32-19-25)34-28(37)23-10-7-13-26(18-23)33-29(38)35-30(24-11-5-2-6-12-24)16-17-36(21-30)20-22-8-3-1-4-9-22/h1-15,18-19H,16-17,20-21H2,(H,32,34,37)(H2,33,35,38)
InChIKeyFSJSPARUYGTPPN-UHFFFAOYSA-N
MW526.04 g/mol
LogP5.91
Rot. Bonds7

About 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide

3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide (PubChem CID 166338478) has the molecular formula C30H28ClN5O2 and a molecular weight of 526.04 g/mol. Its IUPAC name is 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide
PubChem CID166338478
Molecular FormulaC30H28ClN5O2
Molecular Weight526.04 g/mol
Exact Mass525.19
IUPAC Name3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)NC1(c2ccccc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C30H28ClN5O2/c31-25-14-15-27(32-19-25)34-28(37)23-10-7-13-26(18-23)33-29(38)35-30(24-11-5-2-6-12-24)16-17-36(21-30)20-22-8-3-1-4-9-22/h1-15,18-19H,16-17,20-21H2,(H,32,34,37)(H2,33,35,38)
InChIKeyFSJSPARUYGTPPN-UHFFFAOYSA-N
XLogP5.91
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.04
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
N-(5-chloro-2-pyridinyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoylamino]benzamide
CID 166200385
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 166243490
N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
CID 166338346
N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide
CID 166231263
N-(5-chloro-2-pyridinyl)-3-[[2-oxo-2-(quinolin-3-ylamino)ethyl]carbamoylamino]benzamide
CID 166338326
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 75370264
N-[3-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]phenyl]-4-chlorobenzamide
CID 120780523
1-benzyl-N-(5-chloro-2-pyridinyl)benzotriazole-5-carboxamide
CID 53111524
N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide
CID 166355447
3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913238

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide?
The IUPAC name of 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide (CID 166338478) is 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide is O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)NC1(c2ccccc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide?
The InChIKey is FSJSPARUYGTPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN5O2/c31-25-14-15-27(32-19-25)34-28(37)23-10-7-13-26(18-23)33-29(38)35-30(24-11-5-2-6-12-24)16-17-36(21-30)20-22-8-3-1-4-9-22/h1-15,18-19H,16-17,20-21H2,(H,32,34,37)(H2,33,35,38).
What are the key properties of 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide?
3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide has a molecular weight of 526.04 g/mol, XLogP of 5.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide is sourced from PubChem (CID 166338478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).