N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide

C13H20N4O2 — CID 81409955

IUPACN-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N[C@H](C)c1ccncc1
InChIInChI=1S/C13H20N4O2/c1-4-15-13(19)17-12(18)10(3)16-9(2)11-5-7-14-8-6-11/h5-10,16H,4H2,1-3H3,(H2,15,17,18,19)/t9-,10?/m1/s1
InChIKeyYZWWZGWDQZQMJM-YHMJZVADSA-N
MW264.33 g/mol
LogP0.97
Rot. Bonds5

About N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide

N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide (PubChem CID 81409955) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
PubChem CID81409955
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N[C@H](C)c1ccncc1
InChIInChI=1S/C13H20N4O2/c1-4-15-13(19)17-12(18)10(3)16-9(2)11-5-7-14-8-6-11/h5-10,16H,4H2,1-3H3,(H2,15,17,18,19)/t9-,10?/m1/s1
InChIKeyYZWWZGWDQZQMJM-YHMJZVADSA-N
XLogP0.97
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81406042
N-(ethylcarbamoyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 81347825
N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902698
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409616
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714
N-(ethylcarbamoyl)-2-[1-(3-propan-2-yloxyphenyl)ethylamino]propanamide
CID 51088764
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide
CID 43524055
N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81405715
N-(ethylcarbamoyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 62119208
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide (CID 81409955) is N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide is CCNC(=O)NC(=O)C(C)N[C@H](C)c1ccncc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide?
The InChIKey is YZWWZGWDQZQMJM-YHMJZVADSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-15-13(19)17-12(18)10(3)16-9(2)11-5-7-14-8-6-11/h5-10,16H,4H2,1-3H3,(H2,15,17,18,19)/t9-,10?/m1/s1.
What are the key properties of N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide?
N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide is sourced from PubChem (CID 81409955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).