cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine

C15H15N3O2 — CID 168926493

IUPACcyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine
SMILESO=C(O)C1CCC1.c1c[nH]c2c(c1)cnc1nccc12
InChIInChI=1S/C10H7N3.C5H8O2/c1-2-7-6-13-10-8(3-5-12-10)9(7)11-4-1;6-5(7)4-2-1-3-4/h1-6,11H;4H,1-3H2,(H,6,7)
InChIKeyPTNUBKCAOMRRAX-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.98
Rot. Bonds1

About cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine

cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine (PubChem CID 168926493) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine.

Molecular Properties

Compound Namecyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine
PubChem CID168926493
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Namecyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine
SMILESO=C(O)C1CCC1.c1c[nH]c2c(c1)cnc1nccc12
InChIInChI=1S/C10H7N3.C5H8O2/c1-2-7-6-13-10-8(3-5-12-10)9(7)11-4-1;6-5(7)4-2-1-3-4/h1-6,11H;4H,1-3H2,(H,6,7)
InChIKeyPTNUBKCAOMRRAX-UHFFFAOYSA-N
XLogP2.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-isoquinolin-3-ylcycloheptane-1-carboxylic acid
CID 139695403
cyclopropanecarboxylic acid;1H-imidazo[4,5-b]pyridine
CID 162146359
6-methyl-1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidine-3-carboxylic acid
CID 157213084
3-(pyridin-3-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55145962
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
4-[methyl(1H-pyrrol-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149104
tris(cyclohexanecarboxylic acid);1H-inden-1-ide;titanium
CID 18780984
3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid
CID 63041878
1-(11-methyl-5,7,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidine-3-carboxylic acid
CID 136631291
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
4-[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-(1H-pyrrol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 91095888
(4-tert-butylcyclohexyl)-(4-methyl-3-pyrrolo[2,3-h][1,6]naphthyridin-1-ylpiperidin-1-yl)methanone
CID 141355615

Frequently Asked Questions

What is the IUPAC name of cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine?
The IUPAC name of cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine (CID 168926493) is cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine.
What is the SMILES notation for cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine?
The canonical SMILES for cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine is O=C(O)C1CCC1.c1c[nH]c2c(c1)cnc1nccc12.
What is the InChIKey of cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine?
The InChIKey is PTNUBKCAOMRRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3.C5H8O2/c1-2-7-6-13-10-8(3-5-12-10)9(7)11-4-1;6-5(7)4-2-1-3-4/h1-6,11H;4H,1-3H2,(H,6,7).
What are the key properties of cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine?
cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine has a molecular weight of 269.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanecarboxylic acid;1H-pyrrolo[2,3-h][1,6]naphthyridine is sourced from PubChem (CID 168926493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).