3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid

C19H19N5O2S — CID 90177327

IUPAC3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid
SMILESNCCCn1ccnc1.O=C(O)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C13H8N2O2S.C6H11N3/c16-13(17)11-2-1-8-5-14-6-10(12(8)15-11)9-3-4-18-7-9;7-2-1-4-9-5-3-8-6-9/h1-7H,(H,16,17);3,5-6H,1-2,4,7H2
InChIKeyRKDKCOIYDCCZTC-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.29
Rot. Bonds5

About 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid

3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid (PubChem CID 90177327) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid
PubChem CID90177327
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid
SMILESNCCCn1ccnc1.O=C(O)c1ccc2cncc(-c3ccsc3)c2n1
InChIInChI=1S/C13H8N2O2S.C6H11N3/c16-13(17)11-2-1-8-5-14-6-10(12(8)15-11)9-3-4-18-7-9;7-2-1-4-9-5-3-8-6-9/h1-7H,(H,16,17);3,5-6H,1-2,4,7H2
InChIKeyRKDKCOIYDCCZTC-UHFFFAOYSA-N
XLogP3.29
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-imidazol-1-yl-1-(8-phenyl-1,6-naphthyridin-2-yl)pentan-1-one
CID 161426193
N-benzyl-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 4162089
N-(3-imidazol-1-ylpropyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 86911998
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
N-(oxolan-2-ylmethyl)-8-thiophen-3-yl-1,6-naphthyridine-2-carboxamide
CID 58979589
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carboxylic acid
CID 107553286
3-imidazol-1-ylpropan-1-amine;trifluoromethanesulfonic acid
CID 174802569
4-(3-imidazol-1-ylpropylsulfanyl)pyridine-2-carboxylic acid
CID 79554378
2-[(3-imidazol-1-ylpropanoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66381418
6-(3-imidazol-1-ylpropanoylamino)pyridine-2-carboxylic acid
CID 63643768
2-(5-imidazol-1-ylpentanoyl)-1,3-thiazole-4-carboxamide
CID 18788283
2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol
CID 106435002

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid?
The IUPAC name of 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid (CID 90177327) is 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid.
What is the SMILES notation for 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid?
The canonical SMILES for 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid is NCCCn1ccnc1.O=C(O)c1ccc2cncc(-c3ccsc3)c2n1.
What is the InChIKey of 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid?
The InChIKey is RKDKCOIYDCCZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2S.C6H11N3/c16-13(17)11-2-1-8-5-14-6-10(12(8)15-11)9-3-4-18-7-9;7-2-1-4-9-5-3-8-6-9/h1-7H,(H,16,17);3,5-6H,1-2,4,7H2.
What are the key properties of 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid?
3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid has a molecular weight of 381.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylpropan-1-amine;8-thiophen-3-yl-1,6-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 90177327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).