4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide

C19H20N4O2 — CID 95107205

IUPAC4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(CN2CC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)cn1
InChIInChI=1S/C19H20N4O2/c1-25-18-7-4-15(11-21-18)12-23-9-8-17(13-23)22-19(24)16-5-2-14(10-20)3-6-16/h2-7,11,17H,8-9,12-13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyZYGWMSNDTDHWMI-QGZVFWFLSA-N
MW336.40 g/mol
LogP1.97
Rot. Bonds5

About 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide

4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide (PubChem CID 95107205) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
PubChem CID95107205
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
SMILESCOc1ccc(CN2CC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)cn1
InChIInChI=1S/C19H20N4O2/c1-25-18-7-4-15(11-21-18)12-23-9-8-17(13-23)22-19(24)16-5-2-14(10-20)3-6-16/h2-7,11,17H,8-9,12-13H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeyZYGWMSNDTDHWMI-QGZVFWFLSA-N
XLogP1.97
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 53185237
1-cyclopentyl-3-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]urea
CID 95107233
2,4-difluoro-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide
CID 95107187
N-[(3R)-1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 95107251
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
N-[(3R)-1-[(4-cyanophenyl)-(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 11540532
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
5-[[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 95107248
1-ethyl-N-[(3R)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 95107321
6-[4-(4-cyanophenoxy)piperidine-1-carbonyl]-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 66710665
2-(dimethylamino)-N-[1-[(6-ethoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]acetamide
CID 53185239
N-[(3S)-1-[(6-propoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 95107314

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide (CID 95107205) is 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide is COc1ccc(CN2CC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)cn1.
What is the InChIKey of 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
The InChIKey is ZYGWMSNDTDHWMI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-18-7-4-15(11-21-18)12-23-9-8-17(13-23)22-19(24)16-5-2-14(10-20)3-6-16/h2-7,11,17H,8-9,12-13H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide?
4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(3R)-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95107205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).