6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide

C26H26N6O2 — CID 67502269

IUPAC6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide
SMILESCc1cc(Nc2cc(NCc3cccc4cc[nH]c34)c(C(N)=O)cn2)ccc1C(=O)N1CCC1
InChIInChI=1S/C26H26N6O2/c1-16-12-19(6-7-20(16)26(34)32-10-3-11-32)31-23-13-22(21(15-30-23)25(27)33)29-14-18-5-2-4-17-8-9-28-24(17)18/h2,4-9,12-13,15,28H,3,10-11,14H2,1H3,(H2,27,33)(H2,29,30,31)
InChIKeyOREDPWOAYDOOIS-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.17
Rot. Bonds7

About 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide

6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide (PubChem CID 67502269) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide
PubChem CID67502269
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide
SMILESCc1cc(Nc2cc(NCc3cccc4cc[nH]c34)c(C(N)=O)cn2)ccc1C(=O)N1CCC1
InChIInChI=1S/C26H26N6O2/c1-16-12-19(6-7-20(16)26(34)32-10-3-11-32)31-23-13-22(21(15-30-23)25(27)33)29-14-18-5-2-4-17-8-9-28-24(17)18/h2,4-9,12-13,15,28H,3,10-11,14H2,1H3,(H2,27,33)(H2,29,30,31)
InChIKeyOREDPWOAYDOOIS-UHFFFAOYSA-N
XLogP4.17
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide (CID 67502269) is 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide is Cc1cc(Nc2cc(NCc3cccc4cc[nH]c34)c(C(N)=O)cn2)ccc1C(=O)N1CCC1.
What is the InChIKey of 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is OREDPWOAYDOOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-16-12-19(6-7-20(16)26(34)32-10-3-11-32)31-23-13-22(21(15-30-23)25(27)33)29-14-18-5-2-4-17-8-9-28-24(17)18/h2,4-9,12-13,15,28H,3,10-11,14H2,1H3,(H2,27,33)(H2,29,30,31).
What are the key properties of 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide?
6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(azetidine-1-carbonyl)-3-methylanilino]-4-(1H-indol-7-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67502269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).