N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide

C13H19N3O2 — CID 143218064

IUPACN-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide
SMILESCCN(CCCc1cccnc1NC=O)C(C)=O
InChIInChI=1S/C13H19N3O2/c1-3-16(11(2)18)9-5-7-12-6-4-8-14-13(12)15-10-17/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15,17)
InChIKeyNTIMVDZEUVCODH-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.45
Rot. Bonds7

About N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide

N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide (PubChem CID 143218064) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide
PubChem CID143218064
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide
SMILESCCN(CCCc1cccnc1NC=O)C(C)=O
InChIInChI=1S/C13H19N3O2/c1-3-16(11(2)18)9-5-7-12-6-4-8-14-13(12)15-10-17/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15,17)
InChIKeyNTIMVDZEUVCODH-UHFFFAOYSA-N
XLogP1.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzoic acid;N-(3-ethyl-2-pyridinyl)formamide
CID 175520647
2-formamidopyridine-3-carboxylic acid
CID 54137252
2-(2-cyano-3-pyridinyl)ethyl-ethylcarbamic acid
CID 118071795
N-ethyl-2-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62242635
N,N,N'-triethyl-N'-[[2-(methylamino)-3-pyridinyl]methyl]propane-1,3-diamine
CID 102996891
N,N-diethyl-2-formamidobenzamide
CID 168652158
N-methyl-2-[[2-(methylamino)-3-pyridinyl]methyl-propylamino]acetamide
CID 62465375
N-pentyl-N-(pyridin-2-ylmethyl)acetamide
CID 46206176
N,N-diethyl-2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetamide
CID 61374984
N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide
CID 143468780
3-(3-hydroxy-2-pyridinyl)-1,1-dipropylurea
CID 14006930
ethane;N-[(2-fluoro-3-pyridinyl)methyl]formamide
CID 144904179

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide?
The IUPAC name of N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide (CID 143218064) is N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide.
What is the SMILES notation for N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide?
The canonical SMILES for N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide is CCN(CCCc1cccnc1NC=O)C(C)=O.
What is the InChIKey of N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide?
The InChIKey is NTIMVDZEUVCODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-16(11(2)18)9-5-7-12-6-4-8-14-13(12)15-10-17/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15,17).
What are the key properties of N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide?
N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide is sourced from PubChem (CID 143218064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).