N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H23N3O4 — CID 91759768

IUPACN-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H23N3O4/c1-13(2)6-10-26-16-7-9-25-12-15(16)21-18(23)14-11-20-17-5-3-4-8-22(17)19(14)24/h3-6,8,11,15-16H,7,9-10,12H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyFSSBBOOHQUCKLE-CVEARBPZSA-N
MW357.41 g/mol
LogP1.56
Rot. Bonds5

About N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 91759768) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID91759768
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H23N3O4/c1-13(2)6-10-26-16-7-9-25-12-15(16)21-18(23)14-11-20-17-5-3-4-8-22(17)19(14)24/h3-6,8,11,15-16H,7,9-10,12H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyFSSBBOOHQUCKLE-CVEARBPZSA-N
XLogP1.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 91759768) is N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FSSBBOOHQUCKLE-CVEARBPZSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(2)6-10-26-16-7-9-25-12-15(16)21-18(23)14-11-20-17-5-3-4-8-22(17)19(14)24/h3-6,8,11,15-16H,7,9-10,12H2,1-2H3,(H,21,23)/t15-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(3-methylbut-2-enoxy)oxan-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91759768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).