(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide

C20H26N6O — CID 125167230

IUPAC(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)[C@@H](c1cccnc1)N1CCCC1
InChIInChI=1S/C20H26N6O/c27-19(18(25-11-1-2-12-25)16-5-3-8-21-15-16)24-17-6-13-26(14-7-17)20-22-9-4-10-23-20/h3-5,8-10,15,17-18H,1-2,6-7,11-14H2,(H,24,27)/t18-/m1/s1
InChIKeyPNNDUNAKOPVJRC-GOSISDBHSA-N
MW366.47 g/mol
LogP1.79
Rot. Bonds5

About (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide

(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide (PubChem CID 125167230) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide
PubChem CID125167230
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)[C@@H](c1cccnc1)N1CCCC1
InChIInChI=1S/C20H26N6O/c27-19(18(25-11-1-2-12-25)16-5-3-8-21-15-16)24-17-6-13-26(14-7-17)20-22-9-4-10-23-20/h3-5,8-10,15,17-18H,1-2,6-7,11-14H2,(H,24,27)/t18-/m1/s1
InChIKeyPNNDUNAKOPVJRC-GOSISDBHSA-N
XLogP1.79
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
N-(1-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675618
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
3-(cyclohexylamino)-3-oxo-2-pyridin-3-ylpropanoic acid
CID 91593351
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648905
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide
CID 60846790
2-chloro-N-cyclopropyl-2-pyridin-3-ylacetamide
CID 62225149
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948

Frequently Asked Questions

What is the IUPAC name of (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide (CID 125167230) is (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide is O=C(NC1CCN(c2ncccn2)CC1)[C@@H](c1cccnc1)N1CCCC1.
What is the InChIKey of (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is PNNDUNAKOPVJRC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N6O/c27-19(18(25-11-1-2-12-25)16-5-3-8-21-15-16)24-17-6-13-26(14-7-17)20-22-9-4-10-23-20/h3-5,8-10,15,17-18H,1-2,6-7,11-14H2,(H,24,27)/t18-/m1/s1.
What are the key properties of (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide?
(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 366.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 125167230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).