6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide

C20H22N4O3 — CID 167390411

IUPAC6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCOc3cc(C(=O)N4CCCCC4)ccc32)nc1
InChIInChI=1S/C20H22N4O3/c21-19(25)15-5-7-18(22-13-15)24-10-11-27-17-12-14(4-6-16(17)24)20(26)23-8-2-1-3-9-23/h4-7,12-13H,1-3,8-11H2,(H2,21,25)
InChIKeyIPJFZDJQPQSSGI-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.34
Rot. Bonds3

About 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide

6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide (PubChem CID 167390411) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide
PubChem CID167390411
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCOc3cc(C(=O)N4CCCCC4)ccc32)nc1
InChIInChI=1S/C20H22N4O3/c21-19(25)15-5-7-18(22-13-15)24-10-11-27-17-12-14(4-6-16(17)24)20(26)23-8-2-1-3-9-23/h4-7,12-13H,1-3,8-11H2,(H2,21,25)
InChIKeyIPJFZDJQPQSSGI-UHFFFAOYSA-N
XLogP2.34
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
CID 2890
methyl 3-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]benzoate
CID 154994557
[3-(4-aminophenyl)-2H-1,3-benzoxazol-6-yl]-pyrrolidin-1-ylmethanone
CID 163881106
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
methyl 3-[3-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]phenyl]propanoate
CID 163851010
3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl(piperidin-1-yl)methanone
CID 139351307
azepan-1-yl-[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-4-yl]methanone
CID 31611555
3-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzaldehyde
CID 154994400

Frequently Asked Questions

What is the IUPAC name of 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide (CID 167390411) is 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCOc3cc(C(=O)N4CCCCC4)ccc32)nc1.
What is the InChIKey of 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide?
The InChIKey is IPJFZDJQPQSSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c21-19(25)15-5-7-18(22-13-15)24-10-11-27-17-12-14(4-6-16(17)24)20(26)23-8-2-1-3-9-23/h4-7,12-13H,1-3,8-11H2,(H2,21,25).
What are the key properties of 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide?
6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167390411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).