3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide

C14H18N4O — CID 167773802

IUPAC3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide
SMILESCN(C)C1CC(C(=O)Nc2n[nH]c3ccccc23)C1
InChIInChI=1S/C14H18N4O/c1-18(2)10-7-9(8-10)14(19)15-13-11-5-3-4-6-12(11)16-17-13/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16,17,19)
InChIKeyINXUKKAIDRDDGD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.84
Rot. Bonds3

About 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide

3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide (PubChem CID 167773802) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide
PubChem CID167773802
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide
SMILESCN(C)C1CC(C(=O)Nc2n[nH]c3ccccc23)C1
InChIInChI=1S/C14H18N4O/c1-18(2)10-7-9(8-10)14(19)15-13-11-5-3-4-6-12(11)16-17-13/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16,17,19)
InChIKeyINXUKKAIDRDDGD-UHFFFAOYSA-N
XLogP1.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-(1H-indazol-3-yl)-5-methyloxolane-2-carboxamide
CID 80979232
5-bromo-N-(1H-indazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527867
N-(1H-indazol-3-yl)-3-methyloxolane-2-carboxamide
CID 81450034
trans-(1R,3S)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 97185080
trans-(1S,3R)-N-(1H-indazol-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 97185077
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide
CID 60735515
2-(3-ethoxycyclobutyl)-N-(1H-indazol-3-yl)acetamide
CID 103164819
N-[6-[3-[methyl(methylsulfonyl)amino]phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 155566480
N-(1H-indazol-3-yl)prop-2-enamide
CID 62686025

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide (CID 167773802) is 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide is CN(C)C1CC(C(=O)Nc2n[nH]c3ccccc23)C1.
What is the InChIKey of 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide?
The InChIKey is INXUKKAIDRDDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(2)10-7-9(8-10)14(19)15-13-11-5-3-4-6-12(11)16-17-13/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide?
3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1H-indazol-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 167773802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).