N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide

C20H21N5O — CID 126916973

IUPACN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
SMILESO=C(NCC1CN(c2ccc(C3CC3)nn2)C1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H21N5O/c26-20(16-3-4-17-15(9-16)7-8-21-17)22-10-13-11-25(12-13)19-6-5-18(23-24-19)14-1-2-14/h3-9,13-14,21H,1-2,10-12H2,(H,22,26)
InChIKeyVRWQBNVOONDNRT-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.70
Rot. Bonds5

About N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide (PubChem CID 126916973) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
PubChem CID126916973
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
SMILESO=C(NCC1CN(c2ccc(C3CC3)nn2)C1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C20H21N5O/c26-20(16-3-4-17-15(9-16)7-8-21-17)22-10-13-11-25(12-13)19-6-5-18(23-24-19)14-1-2-14/h3-9,13-14,21H,1-2,10-12H2,(H,22,26)
InChIKeyVRWQBNVOONDNRT-UHFFFAOYSA-N
XLogP2.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide (CID 126916973) is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide is O=C(NCC1CN(c2ccc(C3CC3)nn2)C1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide?
The InChIKey is VRWQBNVOONDNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(16-3-4-17-15(9-16)7-8-21-17)22-10-13-11-25(12-13)19-6-5-18(23-24-19)14-1-2-14/h3-9,13-14,21H,1-2,10-12H2,(H,22,26).
What are the key properties of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide?
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 126916973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).