(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide

C13H20N4O2 — CID 94822181

IUPAC(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide
SMILESCCN(CC)C(=O)[C@H](C)NC(=O)Nc1ccncc1
InChIInChI=1S/C13H20N4O2/c1-4-17(5-2)12(18)10(3)15-13(19)16-11-6-8-14-9-7-11/h6-10H,4-5H2,1-3H3,(H2,14,15,16,19)/t10-/m0/s1
InChIKeyYQQVKKBOOUSSNS-JTQLQIEISA-N
MW264.33 g/mol
LogP1.46
Rot. Bonds5

About (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide

(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide (PubChem CID 94822181) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide
PubChem CID94822181
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide
SMILESCCN(CC)C(=O)[C@H](C)NC(=O)Nc1ccncc1
InChIInChI=1S/C13H20N4O2/c1-4-17(5-2)12(18)10(3)15-13(19)16-11-6-8-14-9-7-11/h6-10H,4-5H2,1-3H3,(H2,14,15,16,19)/t10-/m0/s1
InChIKeyYQQVKKBOOUSSNS-JTQLQIEISA-N
XLogP1.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81405715
1-ethyl-1-(2-hydroxypropyl)-3-pyridin-4-ylurea
CID 47079451
1-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-pyridin-4-ylurea
CID 95629506
(2R)-N-(2,2-difluoroethyl)-2-(phenylcarbamoylamino)-N-propylpropanamide
CID 95625473
N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
CID 51091586
(2S)-N,N-diethyl-2-phenyl-2-(phenylcarbamoylamino)acetamide
CID 110287102
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-pyridin-4-ylurea
CID 51108571
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
N-ethyl-2-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-N-methylpropanamide
CID 103113367
2-[(4-aminophenyl)carbamoylamino]-N,N-dimethylpropanamide
CID 54955307
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide?
The IUPAC name of (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide (CID 94822181) is (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide.
What is the SMILES notation for (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide?
The canonical SMILES for (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide is CCN(CC)C(=O)[C@H](C)NC(=O)Nc1ccncc1.
What is the InChIKey of (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide?
The InChIKey is YQQVKKBOOUSSNS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-4-17(5-2)12(18)10(3)15-13(19)16-11-6-8-14-9-7-11/h6-10H,4-5H2,1-3H3,(H2,14,15,16,19)/t10-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide?
(2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide has a molecular weight of 264.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-2-(pyridin-4-ylcarbamoylamino)propanamide is sourced from PubChem (CID 94822181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).