N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H21N3O3 — CID 94599867

IUPACN-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)[C@H](C)N(Cc1ccco1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H21N3O3/c1-13(2)14(3)22(12-15-7-6-10-25-15)19(24)16-11-20-17-8-4-5-9-21(17)18(16)23/h4-11,13-14H,12H2,1-3H3/t14-/m0/s1
InChIKeyLYUWHFZGMMUHJP-AWEZNQCLSA-N
MW339.39 g/mol
LogP2.97
Rot. Bonds5

About N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 94599867) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID94599867
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC NameN-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)[C@H](C)N(Cc1ccco1)C(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H21N3O3/c1-13(2)14(3)22(12-15-7-6-10-25-15)19(24)16-11-20-17-8-4-5-9-21(17)18(16)23/h4-11,13-14H,12H2,1-3H3/t14-/m0/s1
InChIKeyLYUWHFZGMMUHJP-AWEZNQCLSA-N
XLogP2.97
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 50949917
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 46982169
N-(3-hydroxybutyl)-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115673352
N-methyl-4-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 70772816
N-[(4-bromophenyl)methyl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 99176967
N-(furan-2-ylmethyl)-N-(1-hydroxybutan-2-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 50962627
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115771474
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 107482606
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 94599867) is N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)[C@H](C)N(Cc1ccco1)C(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LYUWHFZGMMUHJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(2)14(3)22(12-15-7-6-10-25-15)19(24)16-11-20-17-8-4-5-9-21(17)18(16)23/h4-11,13-14H,12H2,1-3H3/t14-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2S)-3-methylbutan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 94599867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).