N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide

C17H20N4O2 — CID 56688570

IUPACN-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H20N4O2/c1-3-11-21(13(2)22)16-10-9-15(12-18-16)20-17(23)19-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H2,19,20,23)
InChIKeyUQLCWDMBAMZLCJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.49
Rot. Bonds5

About N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide

N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide (PubChem CID 56688570) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide
PubChem CID56688570
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide
SMILESCCCN(C(C)=O)c1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H20N4O2/c1-3-11-21(13(2)22)16-10-9-15(12-18-16)20-17(23)19-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H2,19,20,23)
InChIKeyUQLCWDMBAMZLCJ-UHFFFAOYSA-N
XLogP3.49
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
CID 115268499
1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
CID 113024016
2-amino-N-[6-(dipropylamino)-3-pyridinyl]acetamide
CID 39181823
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
N-[6-(N-propanoylanilino)-3-pyridinyl]propanamide
CID 110175696
N-[5-[(3E)-penta-1,3-dien-3-yl]-2-pyridinyl]-N-propylacetamide
CID 155002839
(2S)-2-amino-N-[6-(diethylamino)-3-pyridinyl]-3-phenylpropanamide;dihydrochloride
CID 119845900
1-[6-[benzyl(ethyl)amino]-3-pyridinyl]-3-propan-2-ylurea
CID 113012624
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022

Frequently Asked Questions

What is the IUPAC name of N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide?
The IUPAC name of N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide (CID 56688570) is N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide.
What is the SMILES notation for N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide?
The canonical SMILES for N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide is CCCN(C(C)=O)c1ccc(NC(=O)Nc2ccccc2)cn1.
What is the InChIKey of N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide?
The InChIKey is UQLCWDMBAMZLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-11-21(13(2)22)16-10-9-15(12-18-16)20-17(23)19-14-7-5-4-6-8-14/h4-10,12H,3,11H2,1-2H3,(H2,19,20,23).
What are the key properties of N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide?
N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide has a molecular weight of 312.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(phenylcarbamoylamino)-2-pyridinyl]-N-propylacetamide is sourced from PubChem (CID 56688570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).