N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide

C16H16N2O3 — CID 110794329

IUPACN-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
SMILESCc1cc2c(cc1CNC(=O)c1ccccn1)OCCO2
InChIInChI=1S/C16H16N2O3/c1-11-8-14-15(21-7-6-20-14)9-12(11)10-18-16(19)13-4-2-3-5-17-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,19)
InChIKeyRSTJZICVQDSGGH-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.09
Rot. Bonds3

About N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide

N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide (PubChem CID 110794329) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
PubChem CID110794329
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide
SMILESCc1cc2c(cc1CNC(=O)c1ccccn1)OCCO2
InChIInChI=1S/C16H16N2O3/c1-11-8-14-15(21-7-6-20-14)9-12(11)10-18-16(19)13-4-2-3-5-17-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,19)
InChIKeyRSTJZICVQDSGGH-UHFFFAOYSA-N
XLogP2.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210020
N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793646
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794338
N-[2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoethyl]benzamide
CID 110794339
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
1-(3-chlorophenyl)-3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea
CID 110775214
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-propan-2-ylurea
CID 110775217
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 18158025
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]pyridine-2-carboxamide
CID 122353929
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyridine-2-carboxamide
CID 110742443
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(pyridine-2-carbonylamino)phenyl]oxamide
CID 3220639

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide (CID 110794329) is N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide is Cc1cc2c(cc1CNC(=O)c1ccccn1)OCCO2.
What is the InChIKey of N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide?
The InChIKey is RSTJZICVQDSGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-8-14-15(21-7-6-20-14)9-12(11)10-18-16(19)13-4-2-3-5-17-13/h2-5,8-9H,6-7,10H2,1H3,(H,18,19).
What are the key properties of N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide?
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110794329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).