N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

C16H21N3O2 — CID 90651083

IUPACN-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCc1ccc(CCNC(=O)CN(C)Cc2ccncc2)o1
InChIInChI=1S/C16H21N3O2/c1-13-3-4-15(21-13)7-10-18-16(20)12-19(2)11-14-5-8-17-9-6-14/h3-6,8-9H,7,10-12H2,1-2H3,(H,18,20)
InChIKeyNMSZZVSMKLWXAC-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 90651083) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID90651083
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCc1ccc(CCNC(=O)CN(C)Cc2ccncc2)o1
InChIInChI=1S/C16H21N3O2/c1-13-3-4-15(21-13)7-10-18-16(20)12-19(2)11-14-5-8-17-9-6-14/h3-6,8-9H,7,10-12H2,1-2H3,(H,18,20)
InChIKeyNMSZZVSMKLWXAC-UHFFFAOYSA-N
XLogP1.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 8810396
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
N-[2-(1-hydroxycyclopentyl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91835522
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115162657
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 91839967
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 8540690
N-(2,6-dimethylphenyl)-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetyl]amino]acetamide
CID 9102594
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
3-[methyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63573503

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (CID 90651083) is N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is Cc1ccc(CCNC(=O)CN(C)Cc2ccncc2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is NMSZZVSMKLWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-13-3-4-15(21-13)7-10-18-16(20)12-19(2)11-14-5-8-17-9-6-14/h3-6,8-9H,7,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 90651083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).