N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide

C13H13N3O3S — CID 139665094

IUPACN-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide
SMILESNCC(=O)NC(=O)c1ncccc1OCc1cccs1
InChIInChI=1S/C13H13N3O3S/c14-7-11(17)16-13(18)12-10(4-1-5-15-12)19-8-9-3-2-6-20-9/h1-6H,7-8,14H2,(H,16,17,18)
InChIKeyULCCKHDNGPPESA-UHFFFAOYSA-N
MW291.33 g/mol
LogP0.94
Rot. Bonds5

About N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide

N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide (PubChem CID 139665094) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide
PubChem CID139665094
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide
SMILESNCC(=O)NC(=O)c1ncccc1OCc1cccs1
InChIInChI=1S/C13H13N3O3S/c14-7-11(17)16-13(18)12-10(4-1-5-15-12)19-8-9-3-2-6-20-9/h1-6H,7-8,14H2,(H,16,17,18)
InChIKeyULCCKHDNGPPESA-UHFFFAOYSA-N
XLogP0.94
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoacetyl)-3-phenylmethoxypyridine-2-carboxamide
CID 15295479
2-bromo-3-(thiophen-2-ylmethoxy)pyridine
CID 65101746
N-(2-aminoacetyl)-3-hydroxy-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-2-carboxamide
CID 54425094
N-(2-aminoacetyl)-3-hydroxy-4-propan-2-yloxypyridine-2-carboxamide
CID 54225142
3-(thiophen-2-ylmethoxymethyl)pyridine-2-carbothioamide
CID 62894465
thiophen-2-ylmethyl 2-fluoropyridine-3-carboxylate
CID 107271846
N-[(2S)-2-amino-3-hydroxybutanoyl]-3-phenylmethoxypyridine-2-carboxamide
CID 67691060
[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 22363219
N-(3-hydroxy-2-pyridinyl)-2-thiophen-2-ylacetamide
CID 110462769
N-[3-(aminomethyl)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 82344031
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
2-methyl-3-(thiophen-2-ylmethoxy)benzoic acid
CID 82826727

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide (CID 139665094) is N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide is NCC(=O)NC(=O)c1ncccc1OCc1cccs1.
What is the InChIKey of N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is ULCCKHDNGPPESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c14-7-11(17)16-13(18)12-10(4-1-5-15-12)19-8-9-3-2-6-20-9/h1-6H,7-8,14H2,(H,16,17,18).
What are the key properties of N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide?
N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoacetyl)-3-(thiophen-2-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 139665094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).