N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide

C17H20N4O2 — CID 71848876

IUPACN-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)NCCc2ccncc2)c1
InChIInChI=1S/C17H20N4O2/c1-2-16(22)20-14-4-3-5-15(12-14)21-17(23)19-11-8-13-6-9-18-10-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyAVOVQRSJLGGDMT-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds6

About N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide

N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide (PubChem CID 71848876) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide
PubChem CID71848876
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)NCCc2ccncc2)c1
InChIInChI=1S/C17H20N4O2/c1-2-16(22)20-14-4-3-5-15(12-14)21-17(23)19-11-8-13-6-9-18-10-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,20,22)(H2,19,21,23)
InChIKeyAVOVQRSJLGGDMT-UHFFFAOYSA-N
XLogP2.79
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
N-[3-[2-(4-methylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108884258
1-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
N-[3-(2-phenylethylcarbamoylamino)phenyl]cyclopropanecarboxamide
CID 38215909
1-(3-hydroxyphenyl)-3-(2-phenylethyl)urea
CID 108888024
1-[2-(4-fluorophenyl)ethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 52596306
N,N-diethyl-3-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 86987634
N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 47102790
N-[3-[2-(3-fluorophenyl)ethylcarbamoylamino]phenyl]acetamide
CID 51290594
N-cyclopropyl-2-[4-(2-pyridin-4-ylethylcarbamoylamino)phenyl]acetamide
CID 72895769
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide?
The IUPAC name of N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide (CID 71848876) is N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)NCCc2ccncc2)c1.
What is the InChIKey of N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide?
The InChIKey is AVOVQRSJLGGDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-16(22)20-14-4-3-5-15(12-14)21-17(23)19-11-8-13-6-9-18-10-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,20,22)(H2,19,21,23).
What are the key properties of N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide?
N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-pyridin-4-ylethylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 71848876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).