4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide

C20H22N4O — CID 126447434

IUPAC4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
SMILESCN1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(C#N)ccn2)cc1
InChIInChI=1S/C20H22N4O/c1-24-12-2-3-18(24)9-11-23-20(25)17-6-4-16(5-7-17)19-13-15(14-21)8-10-22-19/h4-8,10,13,18H,2-3,9,11-12H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyNFHXDLQCTYKUNV-GOSISDBHSA-N
MW334.42 g/mol
LogP2.83
Rot. Bonds5

About 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide

4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide (PubChem CID 126447434) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
PubChem CID126447434
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
SMILESCN1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(C#N)ccn2)cc1
InChIInChI=1S/C20H22N4O/c1-24-12-2-3-18(24)9-11-23-20(25)17-6-4-16(5-7-17)19-13-15(14-21)8-10-22-19/h4-8,10,13,18H,2-3,9,11-12H2,1H3,(H,23,25)/t18-/m1/s1
InChIKeyNFHXDLQCTYKUNV-GOSISDBHSA-N
XLogP2.83
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide (CID 126447434) is 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide is CN1CCC[C@@H]1CCNC(=O)c1ccc(-c2cc(C#N)ccn2)cc1.
What is the InChIKey of 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is NFHXDLQCTYKUNV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24-12-2-3-18(24)9-11-23-20(25)17-6-4-16(5-7-17)19-13-15(14-21)8-10-22-19/h4-8,10,13,18H,2-3,9,11-12H2,1H3,(H,23,25)/t18-/m1/s1.
What are the key properties of 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide?
4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 126447434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).