N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

C32H34ClN7O3 — CID 135146432

IUPACN-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1cccc(-c2nc3c(Cl)cc(CNCCO)cn3n2)c1C
InChIInChI=1S/C32H34ClN7O3/c1-20-24(5-3-7-26(20)30-38-31-27(33)15-23(17-35-12-14-42)19-40(31)39-30)25-6-4-8-28(21(25)2)37-32(43)29-10-9-22(18-36-29)16-34-11-13-41/h3-10,15,18-19,34-35,41-42H,11-14,16-17H2,1-2H3,(H,37,43)
InChIKeyYSAJDSJDUYIVMO-UHFFFAOYSA-N
MW600.12 g/mol
LogP4.14
Rot. Bonds12

About N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide

N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (PubChem CID 135146432) has the molecular formula C32H34ClN7O3 and a molecular weight of 600.12 g/mol. Its IUPAC name is N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
PubChem CID135146432
Molecular FormulaC32H34ClN7O3
Molecular Weight600.12 g/mol
Exact Mass599.24
IUPAC NameN-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide
SMILESCc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1cccc(-c2nc3c(Cl)cc(CNCCO)cn3n2)c1C
InChIInChI=1S/C32H34ClN7O3/c1-20-24(5-3-7-26(20)30-38-31-27(33)15-23(17-35-12-14-42)19-40(31)39-30)25-6-4-8-28(21(25)2)37-32(43)29-10-9-22(18-36-29)16-34-11-13-41/h3-10,15,18-19,34-35,41-42H,11-14,16-17H2,1-2H3,(H,37,43)
InChIKeyYSAJDSJDUYIVMO-UHFFFAOYSA-N
XLogP4.14
TPSA136.70 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.12
LogP ≤ 54.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide (CID 135146432) is N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is Cc1c(NC(=O)c2ccc(CNCCO)cn2)cccc1-c1cccc(-c2nc3c(Cl)cc(CNCCO)cn3n2)c1C.
What is the InChIKey of N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
The InChIKey is YSAJDSJDUYIVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN7O3/c1-20-24(5-3-7-26(20)30-38-31-27(33)15-23(17-35-12-14-42)19-40(31)39-30)25-6-4-8-28(21(25)2)37-32(43)29-10-9-22(18-36-29)16-34-11-13-41/h3-10,15,18-19,34-35,41-42H,11-14,16-17H2,1-2H3,(H,37,43).
What are the key properties of N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide?
N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide has a molecular weight of 600.12 g/mol, XLogP of 4.14, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[8-chloro-6-[(2-hydroxyethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-methylphenyl]-2-methylphenyl]-5-[(2-hydroxyethylamino)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 135146432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).