N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide

C17H20N4O2 — CID 75438227

IUPACN-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNC(=O)Nc2ccncc2C)cc1
InChIInChI=1S/C17H20N4O2/c1-12-11-18-9-8-16(12)21-17(23)19-10-7-14-3-5-15(6-4-14)20-13(2)22/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,22)(H2,18,19,21,23)
InChIKeyDZTIXORKAAPXII-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.71
Rot. Bonds5

About N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide

N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide (PubChem CID 75438227) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide
PubChem CID75438227
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CCNC(=O)Nc2ccncc2C)cc1
InChIInChI=1S/C17H20N4O2/c1-12-11-18-9-8-16(12)21-17(23)19-10-7-14-3-5-15(6-4-14)20-13(2)22/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,22)(H2,18,19,21,23)
InChIKeyDZTIXORKAAPXII-UHFFFAOYSA-N
XLogP2.71
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea
CID 119049795
N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide
CID 63329529
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
N-[4-[2-[(5-bromo-2-methyl-1,3-benzoxazol-7-yl)carbamoylamino]ethyl]phenyl]acetamide
CID 99793928
1-(2-pyridin-3-ylethyl)-3-(2,4,5-trimethylphenyl)urea
CID 3720168
1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75438221
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
3-(4-aminophenyl)-N-(3-methyl-4-pyridinyl)propanamide
CID 63669494
(2S)-N-[2-(4-acetamidophenyl)ethyl]-2-amino-4-methylpentanamide
CID 119755566

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide (CID 75438227) is N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide is CC(=O)Nc1ccc(CCNC(=O)Nc2ccncc2C)cc1.
What is the InChIKey of N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide?
The InChIKey is DZTIXORKAAPXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-11-18-9-8-16(12)21-17(23)19-10-7-14-3-5-15(6-4-14)20-13(2)22/h3-6,8-9,11H,7,10H2,1-2H3,(H,20,22)(H2,18,19,21,23).
What are the key properties of N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide?
N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 75438227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).