N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide

C16H20N2O3 — CID 46985570

IUPACN-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide
SMILESCCC(CO)N(Cc1cccnc1)C(=O)c1ccoc1C
InChIInChI=1S/C16H20N2O3/c1-3-14(11-19)18(10-13-5-4-7-17-9-13)16(20)15-6-8-21-12(15)2/h4-9,14,19H,3,10-11H2,1-2H3
InChIKeyKAKOSORHYMJKOA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide

N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide (PubChem CID 46985570) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide
PubChem CID46985570
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide
SMILESCCC(CO)N(Cc1cccnc1)C(=O)c1ccoc1C
InChIInChI=1S/C16H20N2O3/c1-3-14(11-19)18(10-13-5-4-7-17-9-13)16(20)15-6-8-21-12(15)2/h4-9,14,19H,3,10-11H2,1-2H3
InChIKeyKAKOSORHYMJKOA-UHFFFAOYSA-N
XLogP2.40
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide (CID 46985570) is N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide is CCC(CO)N(Cc1cccnc1)C(=O)c1ccoc1C.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide?
The InChIKey is KAKOSORHYMJKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-14(11-19)18(10-13-5-4-7-17-9-13)16(20)15-6-8-21-12(15)2/h4-9,14,19H,3,10-11H2,1-2H3.
What are the key properties of N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide?
N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 46985570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).