N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide

C20H26N4O2 — CID 125157678

IUPACN,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide
SMILESC[C@@H](Cc1cccnc1)NC(=O)Nc1ccccc1CCC(=O)N(C)C
InChIInChI=1S/C20H26N4O2/c1-15(13-16-7-6-12-21-14-16)22-20(26)23-18-9-5-4-8-17(18)10-11-19(25)24(2)3/h4-9,12,14-15H,10-11,13H2,1-3H3,(H2,22,23,26)/t15-/m0/s1
InChIKeyJLJREYHSVNWZQG-HNNXBMFYSA-N
MW354.45 g/mol
LogP2.86
Rot. Bonds7

About N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide

N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide (PubChem CID 125157678) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide
PubChem CID125157678
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide
SMILESC[C@@H](Cc1cccnc1)NC(=O)Nc1ccccc1CCC(=O)N(C)C
InChIInChI=1S/C20H26N4O2/c1-15(13-16-7-6-12-21-14-16)22-20(26)23-18-9-5-4-8-17(18)10-11-19(25)24(2)3/h4-9,12,14-15H,10-11,13H2,1-3H3,(H2,22,23,26)/t15-/m0/s1
InChIKeyJLJREYHSVNWZQG-HNNXBMFYSA-N
XLogP2.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide
CID 154783650
N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
CID 125177536
3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid
CID 107274126
N,N-dimethyl-2-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 47377414
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
2-(1,3-benzodioxol-5-yl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99926874
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
3-(3,4-dimethylphenyl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 86286437
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 131916256
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
CID 95617732

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide (CID 125157678) is N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide is C[C@@H](Cc1cccnc1)NC(=O)Nc1ccccc1CCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide?
The InChIKey is JLJREYHSVNWZQG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(13-16-7-6-12-21-14-16)22-20(26)23-18-9-5-4-8-17(18)10-11-19(25)24(2)3/h4-9,12,14-15H,10-11,13H2,1-3H3,(H2,22,23,26)/t15-/m0/s1.
What are the key properties of N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide?
N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide is sourced from PubChem (CID 125157678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).