9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H23N5O4 — CID 72864431

IUPAC9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc3c(O)cccn3c2=O)CN1C
InChIInChI=1S/C18H23N5O4/c1-10(2)20-17(26)13-7-11(9-22(13)3)21-16(25)12-8-19-15-14(24)5-4-6-23(15)18(12)27/h4-6,8,10-11,13,24H,7,9H2,1-3H3,(H,20,26)(H,21,25)/t11-,13+/m1/s1
InChIKeyRENKUOBRWQWPLJ-YPMHNXCESA-N
MW373.41 g/mol
LogP-0.27
Rot. Bonds4

About 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 72864431) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID72864431
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc3c(O)cccn3c2=O)CN1C
InChIInChI=1S/C18H23N5O4/c1-10(2)20-17(26)13-7-11(9-22(13)3)21-16(25)12-8-19-15-14(24)5-4-6-23(15)18(12)27/h4-6,8,10-11,13,24H,7,9H2,1-3H3,(H,20,26)(H,21,25)/t11-,13+/m1/s1
InChIKeyRENKUOBRWQWPLJ-YPMHNXCESA-N
XLogP-0.27
TPSA116.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 72864431) is 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)NC(=O)[C@@H]1C[C@@H](NC(=O)c2cnc3c(O)cccn3c2=O)CN1C.
What is the InChIKey of 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RENKUOBRWQWPLJ-YPMHNXCESA-N. The full InChI is InChI=1S/C18H23N5O4/c1-10(2)20-17(26)13-7-11(9-22(13)3)21-16(25)12-8-19-15-14(24)5-4-6-23(15)18(12)27/h4-6,8,10-11,13,24H,7,9H2,1-3H3,(H,20,26)(H,21,25)/t11-,13+/m1/s1.
What are the key properties of 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-[(3R,5S)-1-methyl-5-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 72864431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).