N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide

C15H13N3O4 — CID 84505135

IUPACN-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O4/c19-14(8-17-15(20)10-2-1-5-16-7-10)18-11-3-4-12-13(6-11)22-9-21-12/h1-7H,8-9H2,(H,17,20)(H,18,19)
InChIKeyKSZUBPYJZCSPCR-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.18
Rot. Bonds4

About N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 84505135) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID84505135
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(CNC(=O)c1cccnc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13N3O4/c19-14(8-17-15(20)10-2-1-5-16-7-10)18-11-3-4-12-13(6-11)22-9-21-12/h1-7H,8-9H2,(H,17,20)(H,18,19)
InChIKeyKSZUBPYJZCSPCR-UHFFFAOYSA-N
XLogP1.18
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
CID 6460389
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 27648551
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]pyridine-3-carboxamide
CID 112982804
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27648546
N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 18163065
N-[2-(4-bromoanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 26537277
N-[2-(3-chloroanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 26578694
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110606294

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide (CID 84505135) is N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide is O=C(CNC(=O)c1cccnc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is KSZUBPYJZCSPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-14(8-17-15(20)10-2-1-5-16-7-10)18-11-3-4-12-13(6-11)22-9-21-12/h1-7H,8-9H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide?
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 84505135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).