N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide

C16H20N2O3S — CID 46999685

IUPACN-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CCCO)Cc1ccc(C)s1
InChIInChI=1S/C16H20N2O3S/c1-12-6-7-13(22-12)11-18(9-4-10-19)16(20)14-5-3-8-17-15(14)21-2/h3,5-8,19H,4,9-11H2,1-2H3
InChIKeyLICQAYXPOPGEBG-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.48
Rot. Bonds7

About N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide

N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 46999685) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
PubChem CID46999685
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N(CCCO)Cc1ccc(C)s1
InChIInChI=1S/C16H20N2O3S/c1-12-6-7-13(22-12)11-18(9-4-10-19)16(20)14-5-3-8-17-15(14)21-2/h3,5-8,19H,4,9-11H2,1-2H3
InChIKeyLICQAYXPOPGEBG-UHFFFAOYSA-N
XLogP2.48
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide (CID 46999685) is N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is COc1ncccc1C(=O)N(CCCO)Cc1ccc(C)s1.
What is the InChIKey of N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is LICQAYXPOPGEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-6-7-13(22-12)11-18(9-4-10-19)16(20)14-5-3-8-17-15(14)21-2/h3,5-8,19H,4,9-11H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide?
N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-methoxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 46999685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).