N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide

C20H22N4O2 — CID 50970346

IUPACN-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide
SMILESCOC[C@H]1CCCN1Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-14-18-3-2-10-24(18)13-15-4-7-17(8-5-15)20(25)23-19-9-6-16(11-21)12-22-19/h4-9,12,18H,2-3,10,13-14H2,1H3,(H,22,23,25)/t18-/m1/s1
InChIKeyZZZQHPYYTVPOHI-GOSISDBHSA-N
MW350.42 g/mol
LogP2.82
Rot. Bonds6

About N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide

N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide (PubChem CID 50970346) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide
PubChem CID50970346
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide
SMILESCOC[C@H]1CCCN1Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1
InChIInChI=1S/C20H22N4O2/c1-26-14-18-3-2-10-24(18)13-15-4-7-17(8-5-15)20(25)23-19-9-6-16(11-21)12-22-19/h4-9,12,18H,2-3,10,13-14H2,1H3,(H,22,23,25)/t18-/m1/s1
InChIKeyZZZQHPYYTVPOHI-GOSISDBHSA-N
XLogP2.82
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide (CID 50970346) is N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide is COC[C@H]1CCCN1Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide?
The InChIKey is ZZZQHPYYTVPOHI-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-14-18-3-2-10-24(18)13-15-4-7-17(8-5-15)20(25)23-19-9-6-16(11-21)12-22-19/h4-9,12,18H,2-3,10,13-14H2,1H3,(H,22,23,25)/t18-/m1/s1.
What are the key properties of N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide?
N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 50970346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).