N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide

C14H17N5O2 — CID 154763274

IUPACN,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nccc3c(=O)[nH]cnc23)C1
InChIInChI=1S/C14H17N5O2/c1-14(13(21)15-2)4-6-19(7-14)11-10-9(3-5-16-11)12(20)18-8-17-10/h3,5,8H,4,6-7H2,1-2H3,(H,15,21)(H,17,18,20)
InChIKeyBNOZWZMNRLYPOJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.28
Rot. Bonds2

About N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide

N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide (PubChem CID 154763274) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide
PubChem CID154763274
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nccc3c(=O)[nH]cnc23)C1
InChIInChI=1S/C14H17N5O2/c1-14(13(21)15-2)4-6-19(7-14)11-10-9(3-5-16-11)12(20)18-8-17-10/h3,5,8H,4,6-7H2,1-2H3,(H,15,21)(H,17,18,20)
InChIKeyBNOZWZMNRLYPOJ-UHFFFAOYSA-N
XLogP0.28
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide (CID 154763274) is N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nccc3c(=O)[nH]cnc23)C1.
What is the InChIKey of N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide?
The InChIKey is BNOZWZMNRLYPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-14(13(21)15-2)4-6-19(7-14)11-10-9(3-5-16-11)12(20)18-8-17-10/h3,5,8H,4,6-7H2,1-2H3,(H,15,21)(H,17,18,20).
What are the key properties of N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide?
N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 154763274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).