N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide

C14H14N4O — CID 106896145

IUPACN-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(NCc1cccnn1)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H14N4O/c19-14(16-9-12-2-1-6-17-18-12)11-3-4-13-10(8-11)5-7-15-13/h1-4,6,8,15H,5,7,9H2,(H,16,19)
InChIKeyPARWXNFDRJVLTF-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.37
Rot. Bonds3

About N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 106896145) 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-5-carboxamide.

Molecular Properties

Compound NameN-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID106896145
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(NCc1cccnn1)c1ccc2c(c1)CCN2
InChIInChI=1S/C14H14N4O/c19-14(16-9-12-2-1-6-17-18-12)11-3-4-13-10(8-11)5-7-15-13/h1-4,6,8,15H,5,7,9H2,(H,16,19)
InChIKeyPARWXNFDRJVLTF-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
N-(1,3-thiazol-4-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63825530
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
3-cyano-N-(pyridazin-3-ylmethyl)benzamide
CID 106832275
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61285006
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
N-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513
N-[(5-bromopyrazin-2-yl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepine-7-carboxamide
CID 166416128

Frequently Asked Questions

What is the IUPAC name of N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 106896145) is N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide is O=C(NCc1cccnn1)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is PARWXNFDRJVLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-14(16-9-12-2-1-6-17-18-12)11-3-4-13-10(8-11)5-7-15-13/h1-4,6,8,15H,5,7,9H2,(H,16,19).
What are the key properties of N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.37, 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-5-carboxamide is sourced from PubChem (CID 106896145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).