N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H23N3O4 — CID 91764699

IUPACN-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N[C@@H]3CCOC[C@H]3OCC3CC3)c(=O)n12
InChIInChI=1S/C19H23N3O4/c1-12-3-2-4-17-20-9-14(19(24)22(12)17)18(23)21-15-7-8-25-11-16(15)26-10-13-5-6-13/h2-4,9,13,15-16H,5-8,10-11H2,1H3,(H,21,23)/t15-,16-/m1/s1
InChIKeySUPAKZAJCJCNHB-HZPDHXFCSA-N
MW357.41 g/mol
LogP1.32
Rot. Bonds5

About N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 91764699) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID91764699
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)N[C@@H]3CCOC[C@H]3OCC3CC3)c(=O)n12
InChIInChI=1S/C19H23N3O4/c1-12-3-2-4-17-20-9-14(19(24)22(12)17)18(23)21-15-7-8-25-11-16(15)26-10-13-5-6-13/h2-4,9,13,15-16H,5-8,10-11H2,1H3,(H,21,23)/t15-,16-/m1/s1
InChIKeySUPAKZAJCJCNHB-HZPDHXFCSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-(oxan-4-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 126668441
1,5-anhydro-2,4-dideoxy-3-O-(3-methylbut-2-en-1-yl)-4-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]amino}-D-erythro-pentitol
CID 91759768
N-[trans-3-ethoxytetrahydro-2H-pyran-4-yl]-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 91770364
1,5-anhydro-3-{[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}-2,3-dideoxy-4-O-(3-methylbut-2-en-1-yl)-D-threo-pentitol
CID 91772398
N-{trans-3-[(3-methylbut-2-en-1-yl)oxy]tetrahydro-2H-pyran-4-yl}-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 91773517
1,5-anhydro-2-O-(cyclobutylmethyl)-3,4-dideoxy-3-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]amino}-D-threo-pentitol
CID 91774200
2-O-(2-amino-2-oxoethyl)-1,5-anhydro-3,4-dideoxy-3-{[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)carbonyl]amino}-D-threo-pentitol
CID 91786083
N-[trans-3-ethoxytetrahydro-2H-pyran-4-yl]-9-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 91787732
N-[cis-4-(cyclopropylmethoxy)tetrahydro-2H-pyran-3-yl]-6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 91789011
1,5-anhydro-3-{[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]amino}-2,3-dideoxy-4-O-methyl-D-threo-pentitol
CID 91797301
N-{trans-3-[2-(dimethylamino)-2-oxoethoxy]tetrahydro-2H-pyran-4-yl}-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 91797485
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 128922737

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 91764699) is N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)N[C@@H]3CCOC[C@H]3OCC3CC3)c(=O)n12.
What is the InChIKey of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SUPAKZAJCJCNHB-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-3-2-4-17-20-9-14(19(24)22(12)17)18(23)21-15-7-8-25-11-16(15)26-10-13-5-6-13/h2-4,9,13,15-16H,5-8,10-11H2,1H3,(H,21,23)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3S,4R)-3-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.32, 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-(cyclopropylmethoxy)oxan-4-yl]-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91764699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).