N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide

C19H24N4O3 — CID 72846941

IUPACN-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
SMILESCCCN(Cc1cccnc1)C(=O)Nc1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C19H24N4O3/c1-4-10-23(13-15-6-5-9-20-12-15)19(25)22-16-7-8-18(26-3)17(11-16)21-14(2)24/h5-9,11-12H,4,10,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyCYIGHYZXRRXFPE-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.49
Rot. Bonds7

About N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide

N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide (PubChem CID 72846941) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
PubChem CID72846941
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide
SMILESCCCN(Cc1cccnc1)C(=O)Nc1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C19H24N4O3/c1-4-10-23(13-15-6-5-9-20-12-15)19(25)22-16-7-8-18(26-3)17(11-16)21-14(2)24/h5-9,11-12H,4,10,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyCYIGHYZXRRXFPE-UHFFFAOYSA-N
XLogP3.49
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[benzyl(ethyl)carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 51080356
1-[2-(dimethylamino)ethyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009032
3-(5-chloro-2-methoxyphenyl)-1-(2-pyridin-2-ylethyl)-1-(pyridin-3-ylmethyl)urea
CID 166228293
3-(3,5-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 87009010
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163672
1-[2-(dimethylamino)ethyl]-3-(3-propoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 87009632
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-(5-acetamido-2-methoxyphenyl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 39106187
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
3-(3-chloro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55833254
3-[3-[(dimethylamino)methyl]phenyl]-1-(2-hydroxyethyl)-1-(pyridin-3-ylmethyl)urea
CID 111102179
1-(2-cyanoethyl)-3-(3,4-dichlorophenyl)-1-(pyridin-3-ylmethyl)urea
CID 2282452

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide (CID 72846941) is N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide is CCCN(Cc1cccnc1)C(=O)Nc1ccc(OC)c(NC(C)=O)c1.
What is the InChIKey of N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide?
The InChIKey is CYIGHYZXRRXFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-10-23(13-15-6-5-9-20-12-15)19(25)22-16-7-8-18(26-3)17(11-16)21-14(2)24/h5-9,11-12H,4,10,13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide?
N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[propyl(pyridin-3-ylmethyl)carbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 72846941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).