1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide

C22H25N5O4 — CID 55700912

IUPAC1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)CCN3C(=O)COc4ccccc43)cn2)C1
InChIInChI=1S/C22H25N5O4/c23-22(30)15-4-3-10-26(13-15)19-8-7-16(12-24-19)25-20(28)9-11-27-17-5-1-2-6-18(17)31-14-21(27)29/h1-2,5-8,12,15H,3-4,9-11,13-14H2,(H2,23,30)(H,25,28)
InChIKeyISGTTWOLERGSMN-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.54
Rot. Bonds6

About 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55700912) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55700912
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)CCN3C(=O)COc4ccccc43)cn2)C1
InChIInChI=1S/C22H25N5O4/c23-22(30)15-4-3-10-26(13-15)19-8-7-16(12-24-19)25-20(28)9-11-27-17-5-1-2-6-18(17)31-14-21(27)29/h1-2,5-8,12,15H,3-4,9-11,13-14H2,(H2,23,30)(H,25,28)
InChIKeyISGTTWOLERGSMN-UHFFFAOYSA-N
XLogP1.54
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 25342750
N-(6-methoxy-3-pyridinyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9210916
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
1-[5-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700978
1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971095
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
(3R)-1-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 98891264
1-[5-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970200
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726
N-(2,3-dihydro-1H-inden-5-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9192840

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide (CID 55700912) is 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)CCN3C(=O)COc4ccccc43)cn2)C1.
What is the InChIKey of 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is ISGTTWOLERGSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c23-22(30)15-4-3-10-26(13-15)19-8-7-16(12-24-19)25-20(28)9-11-27-17-5-1-2-6-18(17)31-14-21(27)29/h1-2,5-8,12,15H,3-4,9-11,13-14H2,(H2,23,30)(H,25,28).
What are the key properties of 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55700912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).