N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide

C20H27N3O3 — CID 4192735

IUPACN-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
SMILESCC(C)CCN(CCC(=O)NCCc1ccccn1)C(=O)c1ccoc1
InChIInChI=1S/C20H27N3O3/c1-16(2)7-12-23(20(25)17-9-14-26-15-17)13-8-19(24)22-11-6-18-5-3-4-10-21-18/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3,(H,22,24)
InChIKeyKHWBHLWUYVHEFY-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.91
Rot. Bonds10

About N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide

N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide (PubChem CID 4192735) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
PubChem CID4192735
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
SMILESCC(C)CCN(CCC(=O)NCCc1ccccn1)C(=O)c1ccoc1
InChIInChI=1S/C20H27N3O3/c1-16(2)7-12-23(20(25)17-9-14-26-15-17)13-8-19(24)22-11-6-18-5-3-4-10-21-18/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3,(H,22,24)
InChIKeyKHWBHLWUYVHEFY-UHFFFAOYSA-N
XLogP2.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 42783152
N,N-bis(3-methylbutyl)furan-3-carboxamide
CID 78833315
5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 51070099
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 4685025
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]pyrazine-2-carboxamide
CID 5186435
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843
N-ethyl-2,5-dimethyl-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 3643874
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 7330670
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide (CID 4192735) is N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide is CC(C)CCN(CCC(=O)NCCc1ccccn1)C(=O)c1ccoc1.
What is the InChIKey of N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide?
The InChIKey is KHWBHLWUYVHEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-16(2)7-12-23(20(25)17-9-14-26-15-17)13-8-19(24)22-11-6-18-5-3-4-10-21-18/h3-5,9-10,14-16H,6-8,11-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide?
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide is sourced from PubChem (CID 4192735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).