(3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide

C16H19ClN4O2 — CID 124752631

IUPAC(3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1
InChIInChI=1S/C16H19ClN4O2/c1-2-18-16(23)11-5-6-20(8-11)10-13-7-15(22)21-9-12(17)3-4-14(21)19-13/h3-4,7,9,11H,2,5-6,8,10H2,1H3,(H,18,23)/t11-/m1/s1
InChIKeyKARVVGKXGVJFOY-LLVKDONJSA-N
MW334.81 g/mol
LogP1.31
Rot. Bonds4

About (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide

(3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide (PubChem CID 124752631) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
PubChem CID124752631
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1
InChIInChI=1S/C16H19ClN4O2/c1-2-18-16(23)11-5-6-20(8-11)10-13-7-15(22)21-9-12(17)3-4-14(21)19-13/h3-4,7,9,11H,2,5-6,8,10H2,1H3,(H,18,23)/t11-/m1/s1
InChIKeyKARVVGKXGVJFOY-LLVKDONJSA-N
XLogP1.31
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide (CID 124752631) is (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide is CCNC(=O)[C@@H]1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1.
What is the InChIKey of (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
The InChIKey is KARVVGKXGVJFOY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-2-18-16(23)11-5-6-20(8-11)10-13-7-15(22)21-9-12(17)3-4-14(21)19-13/h3-4,7,9,11H,2,5-6,8,10H2,1H3,(H,18,23)/t11-/m1/s1.
What are the key properties of (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide?
(3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 124752631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).