N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide

C13H20N4O2 — CID 60902698

IUPACN-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCc1ccncc1
InChIInChI=1S/C13H20N4O2/c1-3-15-13(19)17-12(18)10(2)16-9-6-11-4-7-14-8-5-11/h4-5,7-8,10,16H,3,6,9H2,1-2H3,(H2,15,17,18,19)
InChIKeyKYBKJYAZJVATPY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.45
Rot. Bonds6

About N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide

N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide (PubChem CID 60902698) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
PubChem CID60902698
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
SMILESCCNC(=O)NC(=O)C(C)NCCc1ccncc1
InChIInChI=1S/C13H20N4O2/c1-3-15-13(19)17-12(18)10(2)16-9-6-11-4-7-14-8-5-11/h4-5,7-8,10,16H,3,6,9H2,1-2H3,(H2,15,17,18,19)
InChIKeyKYBKJYAZJVATPY-UHFFFAOYSA-N
XLogP0.45
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[2-(3-fluorophenyl)ethylamino]propanamide
CID 43401425
N-(2-methoxyethyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902705
N-pentan-2-yl-2-(2-pyridin-4-ylethylamino)propanamide
CID 60903136
2-chloro-N-(2-pyridin-4-ylethylcarbamoyl)propanamide
CID 54944221
N-(ethylcarbamoyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81406042
N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409955
methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
N-(ethylcarbamoyl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propanamide
CID 106399971
N-(ethylcarbamoyl)-2-[2-(furan-2-yl)ethylamino]propanamide
CID 60638480
N-(ethylcarbamoyl)-2-(2-hydroxyethylamino)propanamide
CID 43389341
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43466733

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide (CID 60902698) is N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide is CCNC(=O)NC(=O)C(C)NCCc1ccncc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide?
The InChIKey is KYBKJYAZJVATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-15-13(19)17-12(18)10(2)16-9-6-11-4-7-14-8-5-11/h4-5,7-8,10,16H,3,6,9H2,1-2H3,(H2,15,17,18,19).
What are the key properties of N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide?
N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide is sourced from PubChem (CID 60902698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).