N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide

C16H16N2O4 — CID 97106108

IUPACN-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide
SMILESO=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C16H16N2O4/c19-13(11-4-5-14-15(9-11)22-10-21-14)6-8-18-16(20)12-3-1-2-7-17-12/h1-5,7,9,13,19H,6,8,10H2,(H,18,20)/t13-/m1/s1
InChIKeySYGUBVWJGJGKIW-CYBMUJFWSA-N
MW300.31 g/mol
LogP1.66
Rot. Bonds5

About N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide

N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide (PubChem CID 97106108) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide
PubChem CID97106108
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide
SMILESO=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccccn1
InChIInChI=1S/C16H16N2O4/c19-13(11-4-5-14-15(9-11)22-10-21-14)6-8-18-16(20)12-3-1-2-7-17-12/h1-5,7,9,13,19H,6,8,10H2,(H,18,20)/t13-/m1/s1
InChIKeySYGUBVWJGJGKIW-CYBMUJFWSA-N
XLogP1.66
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 97042796
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide
CID 121132420
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3,4-difluorobenzamide
CID 97042754
N'-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N-propyloxamide
CID 121132594
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3,4-diethoxybenzamide
CID 121132476
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-2-methoxyacetamide
CID 121132365
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-cyclopentyloxamide
CID 71804364
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121132637
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 71804371
(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]prop-2-enamide
CID 121132457
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pent-4-enamide
CID 121132366
1-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804381

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide (CID 97106108) is N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide is O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccccn1.
What is the InChIKey of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide?
The InChIKey is SYGUBVWJGJGKIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-13(11-4-5-14-15(9-11)22-10-21-14)6-8-18-16(20)12-3-1-2-7-17-12/h1-5,7,9,13,19H,6,8,10H2,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide?
N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]pyridine-2-carboxamide is sourced from PubChem (CID 97106108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).