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

C20H22N4O3 — CID 94176269

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C20H22N4O3/c25-19(15-13-21-18-8-2-5-11-24(18)20(15)26)22-14-16(17-7-6-12-27-17)23-9-3-1-4-10-23/h2,5-8,11-13,16H,1,3-4,9-10,14H2,(H,22,25)/t16-/m0/s1
InChIKeyQHGWSWZEALWIKK-INIZCTEOSA-N
MW366.42 g/mol
LogP2.24
Rot. Bonds5

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

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 94176269) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID94176269
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C20H22N4O3/c25-19(15-13-21-18-8-2-5-11-24(18)20(15)26)22-14-16(17-7-6-12-27-17)23-9-3-1-4-10-23/h2,5-8,11-13,16H,1,3-4,9-10,14H2,(H,22,25)/t16-/m0/s1
InChIKeyQHGWSWZEALWIKK-INIZCTEOSA-N
XLogP2.24
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16620945
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 98339477
2-fluoro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 26834331
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]naphthalene-1-carboxamide
CID 26834307
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 17409871
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylsulfanylbenzamide
CID 2456837
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoxaline-2-carboxamide
CID 18152829
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55330211
N-[(1-hydroxycyclohexyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111459389
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 94176269) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is QHGWSWZEALWIKK-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O3/c25-19(15-13-21-18-8-2-5-11-24(18)20(15)26)22-14-16(17-7-6-12-27-17)23-9-3-1-4-10-23/h2,5-8,11-13,16H,1,3-4,9-10,14H2,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 94176269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).