(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide

C14H14ClN5O2 — CID 137291643

IUPAC(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1nc(-c2ccncc2)[nH]c(=O)c1Cl
InChIInChI=1S/C14H14ClN5O2/c15-10-13(20-7-1-2-9(20)11(16)21)18-12(19-14(10)22)8-3-5-17-6-4-8/h3-6,9H,1-2,7H2,(H2,16,21)(H,18,19,22)/t9-/m1/s1
InChIKeyDLIJLLMSOYUTPK-SECBINFHSA-N
MW319.75 g/mol
LogP0.94
Rot. Bonds3

About (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide

(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 137291643) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID137291643
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1c1nc(-c2ccncc2)[nH]c(=O)c1Cl
InChIInChI=1S/C14H14ClN5O2/c15-10-13(20-7-1-2-9(20)11(16)21)18-12(19-14(10)22)8-3-5-17-6-4-8/h3-6,9H,1-2,7H2,(H2,16,21)(H,18,19,22)/t9-/m1/s1
InChIKeyDLIJLLMSOYUTPK-SECBINFHSA-N
XLogP0.94
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 137291412
1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137291501
1-(7-oxo-5-phenyl-6H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 166172003
methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 159135141
5-chloro-2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137291610
(3S)-1-[5-chloro-2-(2-fluoro-4-pyridinyl)-6-oxo-1H-pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 137291413
5-chloro-4-[(3S)-3-methyl-4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291548
5-chloro-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291463
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-5-chloro-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 142309309
5-chloro-4-[(3S)-3-(2-hydroxypropan-2-yl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291672
5-chloro-4-[3-(1,1-difluoroethyl)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137291594
5-chloro-4-[(3Z)-3-(2-hydroxyethylidene)piperazin-1-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 142309363

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 137291643) is (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1c1nc(-c2ccncc2)[nH]c(=O)c1Cl.
What is the InChIKey of (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is DLIJLLMSOYUTPK-SECBINFHSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c15-10-13(20-7-1-2-9(20)11(16)21)18-12(19-14(10)22)8-3-5-17-6-4-8/h3-6,9H,1-2,7H2,(H2,16,21)(H,18,19,22)/t9-/m1/s1.
What are the key properties of (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 137291643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).