N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide

C14H16N4O — CID 103117767

IUPACN-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H16N4O/c1-10(8-15)9-17(2)14(19)13-11-6-4-5-7-12(11)18(3)16-13/h4-7,10H,9H2,1-3H3
InChIKeyXXHGKRTYUGINEX-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.80
Rot. Bonds3

About N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide

N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide (PubChem CID 103117767) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide
PubChem CID103117767
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H16N4O/c1-10(8-15)9-17(2)14(19)13-11-6-4-5-7-12(11)18(3)16-13/h4-7,10H,9H2,1-3H3
InChIKeyXXHGKRTYUGINEX-UHFFFAOYSA-N
XLogP1.80
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,1-dimethylindazole-3-carboxamide
CID 103117931
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
CID 103117269
3-methyl-2-(1-methylindazole-3-carbonyl)butanenitrile
CID 103118535
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N,1-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]indazole-3-carboxamide
CID 46996222
N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012555
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1-methylindazole-3-carboxamide
CID 107491860
N-(2-cyanopropyl)-N,2-dimethyl-2-phenylpropanamide
CID 54990418
2-bromo-N-(2-cyanopropyl)-N-methylbenzamide
CID 55021092

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide (CID 103117767) is N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide is CC(C#N)CN(C)C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide?
The InChIKey is XXHGKRTYUGINEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(8-15)9-17(2)14(19)13-11-6-4-5-7-12(11)18(3)16-13/h4-7,10H,9H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide?
N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N,1-dimethylindazole-3-carboxamide is sourced from PubChem (CID 103117767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).