N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C16H15N3O4 — CID 17394593

IUPACN-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C16H15N3O4/c1-10-2-5-14(17-7-10)19-15(20)8-18-16(21)11-3-4-12-13(6-11)23-9-22-12/h2-7H,8-9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyHNDKJGKEANFQEO-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.49
Rot. Bonds4

About N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 17394593) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID17394593
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C16H15N3O4/c1-10-2-5-14(17-7-10)19-15(20)8-18-16(21)11-3-4-12-13(6-11)23-9-22-12/h2-7H,8-9H2,1H3,(H,18,21)(H,17,19,20)
InChIKeyHNDKJGKEANFQEO-UHFFFAOYSA-N
XLogP1.49
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17460856
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
N-[2-(4-tert-butylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27258854
N-[2-oxo-2-(quinolin-3-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 33263240
N-[2-(4-bromoanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 26537277
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
6-hydroxy-N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 47265796
N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46651089
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-[5-(2,4,6-trimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032826
N-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9493821

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 17394593) is N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is HNDKJGKEANFQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-2-5-14(17-7-10)19-15(20)8-18-16(21)11-3-4-12-13(6-11)23-9-22-12/h2-7H,8-9H2,1H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 17394593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).