2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide

C13H20N4O2 — CID 47126081

IUPAC2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)NCc1ccccn1
InChIInChI=1S/C13H20N4O2/c1-10(2)12(18)15-7-8-16-13(19)17-9-11-5-3-4-6-14-11/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyOKULBJZPBOPFRU-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.65
Rot. Bonds6

About 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide

2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide (PubChem CID 47126081) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
PubChem CID47126081
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)NCc1ccccn1
InChIInChI=1S/C13H20N4O2/c1-10(2)12(18)15-7-8-16-13(19)17-9-11-5-3-4-6-14-11/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyOKULBJZPBOPFRU-UHFFFAOYSA-N
XLogP0.65
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
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2-(methylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 62637273
1-(pyridin-2-ylmethyl)-3-(thiophen-2-ylmethyl)urea
CID 47125825
7-(pyridin-2-ylmethylcarbamoylamino)heptanoic acid
CID 61190060
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321
1-(pyridin-2-ylmethyl)-3-(2,2,2-trifluoroethyl)urea
CID 47134204
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
3-methyl-2-(pyridin-2-ylmethylcarbamoylamino)pentanoic acid
CID 3373459
1-(pyridin-2-ylmethyl)-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974576
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide (CID 47126081) is 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide is CC(C)C(=O)NCCNC(=O)NCc1ccccn1.
What is the InChIKey of 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide?
The InChIKey is OKULBJZPBOPFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)12(18)15-7-8-16-13(19)17-9-11-5-3-4-6-14-11/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H2,16,17,19).
What are the key properties of 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide?
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide is sourced from PubChem (CID 47126081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).