N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide

C13H18N4O — CID 103117269

IUPACN,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
SMILESCNCCN(C)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H18N4O/c1-14-8-9-16(2)13(18)12-10-6-4-5-7-11(10)17(3)15-12/h4-7,14H,8-9H2,1-3H3
InChIKeyQRLBVLYWYIZNHK-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.86
Rot. Bonds4

About N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide

N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide (PubChem CID 103117269) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
PubChem CID103117269
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
SMILESCNCCN(C)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H18N4O/c1-14-8-9-16(2)13(18)12-10-6-4-5-7-11(10)17(3)15-12/h4-7,14H,8-9H2,1-3H3
InChIKeyQRLBVLYWYIZNHK-UHFFFAOYSA-N
XLogP0.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117767
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117931
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid
CID 103116595
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide (CID 103117269) is N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide is CNCCN(C)C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide?
The InChIKey is QRLBVLYWYIZNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-14-8-9-16(2)13(18)12-10-6-4-5-7-11(10)17(3)15-12/h4-7,14H,8-9H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide?
N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide is sourced from PubChem (CID 103117269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).