N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide

C23H24N4O — CID 11610423

IUPACN-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide
SMILESCNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cn2)C1
InChIInChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28)
InChIKeyDOKSQMPMAHUKLJ-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.80
Rot. Bonds5

About N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide

N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide (PubChem CID 11610423) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide
PubChem CID11610423
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide
SMILESCNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cn2)C1
InChIInChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28)
InChIKeyDOKSQMPMAHUKLJ-UHFFFAOYSA-N
XLogP3.80
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide?
The IUPAC name of N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide (CID 11610423) is N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide.
What is the SMILES notation for N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide?
The canonical SMILES for N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide is CNC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cn2)C1.
What is the InChIKey of N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide?
The InChIKey is DOKSQMPMAHUKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-24-21-13-14-27(16-21)22-12-11-20(15-25-22)26-23(28)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28).
What are the key properties of N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide?
N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide has a molecular weight of 372.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylbenzamide is sourced from PubChem (CID 11610423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).