4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide

C13H16N4O — CID 125482159

IUPAC4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(NCC2CNC2)c2cc[nH]c12
InChIInChI=1S/C13H16N4O/c14-13(18)10-1-2-11(9-3-4-16-12(9)10)17-7-8-5-15-6-8/h1-4,8,15-17H,5-7H2,(H2,14,18)
InChIKeySJDSVAJHEWLMPB-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.90
Rot. Bonds4

About 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide

4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide (PubChem CID 125482159) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide
PubChem CID125482159
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide
SMILESNC(=O)c1ccc(NCC2CNC2)c2cc[nH]c12
InChIInChI=1S/C13H16N4O/c14-13(18)10-1-2-11(9-3-4-16-12(9)10)17-7-8-5-15-6-8/h1-4,8,15-17H,5-7H2,(H2,14,18)
InChIKeySJDSVAJHEWLMPB-UHFFFAOYSA-N
XLogP0.90
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide
CID 129265164
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
5-bromo-2-(piperidin-3-ylmethylamino)benzamide
CID 114893913
4-[(1R,3R)-3-aminocyclohexyl]-1H-indole-7-carboxamide
CID 125482192
4-amino-1H-indole-7-carbonitrile;4-amino-1H-indole-7-carboxamide
CID 161183208
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
N-(azetidin-3-ylmethyl)-1H-indol-3-amine
CID 115207247
4-chloro-2-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623817
2-bromo-6-(piperidin-3-ylmethylamino)benzamide
CID 114884738
4-[4-(aminomethyl)phenyl]-1H-indole-7-carboxamide;1H-azet-2-one
CID 174783814
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242
[3-carbamoyl-4-(cyclopropylmethylamino)phenyl]-(1-methylcyclopropyl)-oxophosphanium
CID 169187282

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide?
The IUPAC name of 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide (CID 125482159) is 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide.
What is the SMILES notation for 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide?
The canonical SMILES for 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide is NC(=O)c1ccc(NCC2CNC2)c2cc[nH]c12.
What is the InChIKey of 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide?
The InChIKey is SJDSVAJHEWLMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-13(18)10-1-2-11(9-3-4-16-12(9)10)17-7-8-5-15-6-8/h1-4,8,15-17H,5-7H2,(H2,14,18).
What are the key properties of 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide?
4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylmethylamino)-1H-indole-7-carboxamide is sourced from PubChem (CID 125482159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).