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

C19H23N3O4 — CID 91774200

IUPACN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H23N3O4/c23-18(14-10-20-17-6-1-2-8-22(17)19(14)24)21-15-7-9-25-12-16(15)26-11-13-4-3-5-13/h1-2,6,8,10,13,15-16H,3-5,7,9,11-12H2,(H,21,23)/t15-,16-/m1/s1
InChIKeyNJQZRVQBUVTOMC-HZPDHXFCSA-N
MW357.41 g/mol
LogP1.40
Rot. Bonds5

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

N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 91774200) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID91774200
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H23N3O4/c23-18(14-10-20-17-6-1-2-8-22(17)19(14)24)21-15-7-9-25-12-16(15)26-11-13-4-3-5-13/h1-2,6,8,10,13,15-16H,3-5,7,9,11-12H2,(H,21,23)/t15-,16-/m1/s1
InChIKeyNJQZRVQBUVTOMC-HZPDHXFCSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 91774200) is N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(N[C@@H]1CCOC[C@H]1OCC1CCC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NJQZRVQBUVTOMC-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-18(14-10-20-17-6-1-2-8-22(17)19(14)24)21-15-7-9-25-12-16(15)26-11-13-4-3-5-13/h1-2,6,8,10,13,15-16H,3-5,7,9,11-12H2,(H,21,23)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91774200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).