(2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide

C23H26N4O2 — CID 24993747

IUPAC(2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(N2CCC[C@H]2C(N)=O)cc1
InChIInChI=1S/C23H26N4O2/c1-2-3-7-18-21(23(29)27-14-5-4-9-20(27)25-18)16-10-12-17(13-11-16)26-15-6-8-19(26)22(24)28/h4-5,9-14,19H,2-3,6-8,15H2,1H3,(H2,24,28)/t19-/m0/s1
InChIKeyXTQVUZSPFRTNGY-IBGZPJMESA-N
MW390.49 g/mol
LogP3.16
Rot. Bonds6

About (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 24993747) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID24993747
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCCCCc1nc2ccccn2c(=O)c1-c1ccc(N2CCC[C@H]2C(N)=O)cc1
InChIInChI=1S/C23H26N4O2/c1-2-3-7-18-21(23(29)27-14-5-4-9-20(27)25-18)16-10-12-17(13-11-16)26-15-6-8-19(26)22(24)28/h4-5,9-14,19H,2-3,6-8,15H2,1H3,(H2,24,28)/t19-/m0/s1
InChIKeyXTQVUZSPFRTNGY-IBGZPJMESA-N
XLogP3.16
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide (CID 24993747) is (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide is CCCCc1nc2ccccn2c(=O)c1-c1ccc(N2CCC[C@H]2C(N)=O)cc1.
What is the InChIKey of (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XTQVUZSPFRTNGY-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-3-7-18-21(23(29)27-14-5-4-9-20(27)25-18)16-10-12-17(13-11-16)26-15-6-8-19(26)22(24)28/h4-5,9-14,19H,2-3,6-8,15H2,1H3,(H2,24,28)/t19-/m0/s1.
What are the key properties of (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-butyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24993747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).