(2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide

C22H23N5O2 — CID 125011167

IUPAC(2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN1Cc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C22H23N5O2/c1-23-20(28)22(19-9-2-3-11-24-19)10-5-14-27(22)16-17-7-4-8-18(15-17)29-21-25-12-6-13-26-21/h2-4,6-9,11-13,15H,5,10,14,16H2,1H3,(H,23,28)/t22-/m1/s1
InChIKeyVOGWHOQVVGCELN-JOCHJYFZSA-N
MW389.46 g/mol
LogP2.90
Rot. Bonds6

About (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide

(2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 125011167) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID125011167
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name(2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN1Cc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C22H23N5O2/c1-23-20(28)22(19-9-2-3-11-24-19)10-5-14-27(22)16-17-7-4-8-18(15-17)29-21-25-12-6-13-26-21/h2-4,6-9,11-13,15H,5,10,14,16H2,1H3,(H,23,28)/t22-/m1/s1
InChIKeyVOGWHOQVVGCELN-JOCHJYFZSA-N
XLogP2.90
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 125011167) is (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide is CNC(=O)[C@]1(c2ccccn2)CCCN1Cc1cccc(Oc2ncccn2)c1.
What is the InChIKey of (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VOGWHOQVVGCELN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-23-20(28)22(19-9-2-3-11-24-19)10-5-14-27(22)16-17-7-4-8-18(15-17)29-21-25-12-6-13-26-21/h2-4,6-9,11-13,15H,5,10,14,16H2,1H3,(H,23,28)/t22-/m1/s1.
What are the key properties of (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide?
(2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-pyridin-2-yl-1-[(3-pyrimidin-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 125011167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).