2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide

C19H20N4O2 — CID 155212795

IUPAC2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCOc1cnc(-c2cccc(C#N)c2)cc1C(=O)N[C@H]1CN[C@H](C)C1
InChIInChI=1S/C19H20N4O2/c1-12-6-15(10-21-12)23-19(24)16-8-17(22-11-18(16)25-2)14-5-3-4-13(7-14)9-20/h3-5,7-8,11-12,15,21H,6,10H2,1-2H3,(H,23,24)/t12-,15-/m1/s1
InChIKeyIIZQVEOTIIPOJQ-IUODEOHRSA-N
MW336.40 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide

2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 155212795) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID155212795
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCOc1cnc(-c2cccc(C#N)c2)cc1C(=O)N[C@H]1CN[C@H](C)C1
InChIInChI=1S/C19H20N4O2/c1-12-6-15(10-21-12)23-19(24)16-8-17(22-11-18(16)25-2)14-5-3-4-13(7-14)9-20/h3-5,7-8,11-12,15,21H,6,10H2,1-2H3,(H,23,24)/t12-,15-/m1/s1
InChIKeyIIZQVEOTIIPOJQ-IUODEOHRSA-N
XLogP2.11
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide (CID 155212795) is 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide is COc1cnc(-c2cccc(C#N)c2)cc1C(=O)N[C@H]1CN[C@H](C)C1.
What is the InChIKey of 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is IIZQVEOTIIPOJQ-IUODEOHRSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-6-15(10-21-12)23-19(24)16-8-17(22-11-18(16)25-2)14-5-3-4-13(7-14)9-20/h3-5,7-8,11-12,15,21H,6,10H2,1-2H3,(H,23,24)/t12-,15-/m1/s1.
What are the key properties of 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide?
2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenyl)-5-methoxy-N-[(3R,5R)-5-methylpyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 155212795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).