3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide

C18H18N4O2 — CID 11484092

IUPAC3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
SMILESCCC(=O)NCc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1
InChIInChI=1S/C18H18N4O2/c1-2-16(23)20-10-11-4-3-5-12(8-11)17-14-9-13(18(19)24)6-7-15(14)21-22-17/h3-9H,2,10H2,1H3,(H2,19,24)(H,20,23)(H,21,22)
InChIKeyKJWUPKVHKZNLAZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.36
Rot. Bonds5

About 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide

3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide (PubChem CID 11484092) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
PubChem CID11484092
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide
SMILESCCC(=O)NCc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1
InChIInChI=1S/C18H18N4O2/c1-2-16(23)20-10-11-4-3-5-12(8-11)17-14-9-13(18(19)24)6-7-15(14)21-22-17/h3-9H,2,10H2,1H3,(H2,19,24)(H,20,23)(H,21,22)
InChIKeyKJWUPKVHKZNLAZ-UHFFFAOYSA-N
XLogP2.36
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide (CID 11484092) is 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide is CCC(=O)NCc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.
What is the InChIKey of 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is KJWUPKVHKZNLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-16(23)20-10-11-4-3-5-12(8-11)17-14-9-13(18(19)24)6-7-15(14)21-22-17/h3-9H,2,10H2,1H3,(H2,19,24)(H,20,23)(H,21,22).
What are the key properties of 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide?
3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(propanoylamino)methyl]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 11484092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).