4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide

C23H18N4O — CID 156653568

IUPAC4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC#Cn1ncc2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)ccc21
InChIInChI=1S/C23H18N4O/c1-2-12-27-22-10-9-20(13-21(22)16-26-27)18-5-7-19(8-6-18)23(28)25-15-17-4-3-11-24-14-17/h3-11,13-14,16H,15H2,1H3,(H,25,28)
InChIKeyGHPIVEUIVXAKDN-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.86
Rot. Bonds4

About 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide

4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 156653568) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID156653568
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESCC#Cn1ncc2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)ccc21
InChIInChI=1S/C23H18N4O/c1-2-12-27-22-10-9-20(13-21(22)16-26-27)18-5-7-19(8-6-18)23(28)25-15-17-4-3-11-24-14-17/h3-11,13-14,16H,15H2,1H3,(H,25,28)
InChIKeyGHPIVEUIVXAKDN-UHFFFAOYSA-N
XLogP3.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360745
4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 164884838
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)benzamide
CID 110690313
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984

Frequently Asked Questions

What is the IUPAC name of 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 156653568) is 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide is CC#Cn1ncc2cc(-c3ccc(C(=O)NCc4cccnc4)cc3)ccc21.
What is the InChIKey of 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is GHPIVEUIVXAKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-2-12-27-22-10-9-20(13-21(22)16-26-27)18-5-7-19(8-6-18)23(28)25-15-17-4-3-11-24-14-17/h3-11,13-14,16H,15H2,1H3,(H,25,28).
What are the key properties of 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide?
4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 366.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-prop-1-ynylindazol-5-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 156653568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).