N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C16H15N3O4 — CID 17397707

IUPACN-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H15N3O4/c1-10-3-2-4-14(18-10)19-15(20)8-17-16(21)11-5-6-12-13(7-11)23-9-22-12/h2-7H,8-9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyNFSDUBYCQFCCCM-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.49
Rot. Bonds4

About N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 17397707) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID17397707
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H15N3O4/c1-10-3-2-4-14(18-10)19-15(20)8-17-16(21)11-5-6-12-13(7-11)23-9-22-12/h2-7H,8-9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyNFSDUBYCQFCCCM-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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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 17397707) is N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is Cc1cccc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NFSDUBYCQFCCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-3-2-4-14(18-10)19-15(20)8-17-16(21)11-5-6-12-13(7-11)23-9-22-12/h2-7H,8-9H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[(6-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-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 17397707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).