N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

C30H38N8O3 — CID 121434848

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(C5=CCN(C(=O)N6CCOCC6)CC5)cccn4n3)cc2)CC1
InChIInChI=1S/C30H38N8O3/c1-34-14-11-25(12-15-34)35(2)28(39)23-5-7-24(8-6-23)31-29-32-27-26(4-3-13-38(27)33-29)22-9-16-36(17-10-22)30(40)37-18-20-41-21-19-37/h3-9,13,25H,10-12,14-21H2,1-2H3,(H,31,33)
InChIKeyNJQVLJXWRGZOMO-UHFFFAOYSA-N
MW558.69 g/mol
LogP3.18
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide

N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (PubChem CID 121434848) has the molecular formula C30H38N8O3 and a molecular weight of 558.69 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
PubChem CID121434848
Molecular FormulaC30H38N8O3
Molecular Weight558.69 g/mol
Exact Mass558.31
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(C5=CCN(C(=O)N6CCOCC6)CC5)cccn4n3)cc2)CC1
InChIInChI=1S/C30H38N8O3/c1-34-14-11-25(12-15-34)35(2)28(39)23-5-7-24(8-6-23)31-29-32-27-26(4-3-13-38(27)33-29)22-9-16-36(17-10-22)30(40)37-18-20-41-21-19-37/h3-9,13,25H,10-12,14-21H2,1-2H3,(H,31,33)
InChIKeyNJQVLJXWRGZOMO-UHFFFAOYSA-N
XLogP3.18
TPSA98.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide (CID 121434848) is N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(C5=CCN(C(=O)N6CCOCC6)CC5)cccn4n3)cc2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
The InChIKey is NJQVLJXWRGZOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N8O3/c1-34-14-11-25(12-15-34)35(2)28(39)23-5-7-24(8-6-23)31-29-32-27-26(4-3-13-38(27)33-29)22-9-16-36(17-10-22)30(40)37-18-20-41-21-19-37/h3-9,13,25H,10-12,14-21H2,1-2H3,(H,31,33).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide?
N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide has a molecular weight of 558.69 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-4-[[8-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide is sourced from PubChem (CID 121434848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).