N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide

C14H14N4O — CID 106896010

IUPACN-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1cccnn1)C1Cc2ccccc2N1
InChIInChI=1S/C14H14N4O/c19-14(15-9-11-5-3-7-16-18-11)13-8-10-4-1-2-6-12(10)17-13/h1-7,13,17H,8-9H2,(H,15,19)
InChIKeyVBFBSUOCNWTRLU-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.13
Rot. Bonds3

About N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide

N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 106896010) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID106896010
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1cccnn1)C1Cc2ccccc2N1
InChIInChI=1S/C14H14N4O/c19-14(15-9-11-5-3-7-16-18-11)13-8-10-4-1-2-6-12(10)17-13/h1-7,13,17H,8-9H2,(H,15,19)
InChIKeyVBFBSUOCNWTRLU-UHFFFAOYSA-N
XLogP1.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide 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

(2S)-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 82873992
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76923479
N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76988868
(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61402453
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
N-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76892488
N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
CID 106896192
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61165378
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
(2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 56756996
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648

Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 106896010) is N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCc1cccnn1)C1Cc2ccccc2N1.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VBFBSUOCNWTRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-14(15-9-11-5-3-7-16-18-11)13-8-10-4-1-2-6-12(10)17-13/h1-7,13,17H,8-9H2,(H,15,19).
What are the key properties of N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 106896010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).