6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid

C18H16N2O3 — CID 155543656

IUPAC6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESC[C@@]12c3ccccc3C[C@@H]1[C@H]2C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C18H16N2O3/c1-18-12-5-3-2-4-10(12)8-13(18)15(18)16(21)20-14-7-6-11(9-19-14)17(22)23/h2-7,9,13,15H,8H2,1H3,(H,22,23)(H,19,20,21)/t13-,15+,18-/m1/s1
InChIKeyGUFOHZPRTCURNN-QIIPPGSGSA-N
MW308.34 g/mol
LogP2.48
Rot. Bonds3

About 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid

6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 155543656) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID155543656
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESC[C@@]12c3ccccc3C[C@@H]1[C@H]2C(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C18H16N2O3/c1-18-12-5-3-2-4-10(12)8-13(18)15(18)16(21)20-14-7-6-11(9-19-14)17(22)23/h2-7,9,13,15H,8H2,1H3,(H,22,23)(H,19,20,21)/t13-,15+,18-/m1/s1
InChIKeyGUFOHZPRTCURNN-QIIPPGSGSA-N
XLogP2.48
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)amino]nicotinic acid
CID 46933689
5-[6-(Ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208494
3-Pyridinecarboxylic acid, 2-[[4-(1-methylethyl)phenyl]amino]-
CID 1174129
6-Benzamidonicotinic acid
CID 17965902
(Z)-4-(1-(6-(5-fluoro-4-methylnicotinamido)pyridin-3-yl)prop-1-en-1-yl)benzoic acid
CID 71010088
Nicotinic acid, 2-(4-biphenylylamino)-
CID 214598
Bcx-3607
CID 9912630
2-[4-[3-(3,4-Dimethylphenyl)propyl]anilino]pyridine-3-carboxylic acid
CID 44571242
6-[[(1R,1aR,6aR)-6a-methyl-1a,6-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 155525977
Methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
CID 155558946
6-(Tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-triene-3-carbonylamino)pyridine-3-carboxylic acid
CID 25189752
6-[(6a-Methyl-4,5,6,7,8,9-hexahydrophenalene-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 25189983

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid (CID 155543656) is 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid is C[C@@]12c3ccccc3C[C@@H]1[C@H]2C(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is GUFOHZPRTCURNN-QIIPPGSGSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-18-12-5-3-2-4-10(12)8-13(18)15(18)16(21)20-14-7-6-11(9-19-14)17(22)23/h2-7,9,13,15H,8H2,1H3,(H,22,23)(H,19,20,21)/t13-,15+,18-/m1/s1.
What are the key properties of 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid?
6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,1aR,6aR)-1a-methyl-6,6a-dihydro-1H-cyclopropa[a]indene-1-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 155543656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).