N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C23H22ClN7O — CID 167238457

IUPACN-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCN1CCC(N(C(=O)c2ccc(-n3nnc4cccnc43)cc2)c2ncccc2Cl)CC1
InChIInChI=1S/C23H22ClN7O/c1-29-14-10-17(11-15-29)30(21-19(24)4-2-12-25-21)23(32)16-6-8-18(9-7-16)31-22-20(27-28-31)5-3-13-26-22/h2-9,12-13,17H,10-11,14-15H2,1H3
InChIKeyGCQCFXVSHMDLNF-UHFFFAOYSA-N
MW447.93 g/mol
LogP3.60
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 167238457) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
PubChem CID167238457
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC NameN-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
SMILESCN1CCC(N(C(=O)c2ccc(-n3nnc4cccnc43)cc2)c2ncccc2Cl)CC1
InChIInChI=1S/C23H22ClN7O/c1-29-14-10-17(11-15-29)30(21-19(24)4-2-12-25-21)23(32)16-6-8-18(9-7-16)31-22-20(27-28-31)5-3-13-26-22/h2-9,12-13,17H,10-11,14-15H2,1H3
InChIKeyGCQCFXVSHMDLNF-UHFFFAOYSA-N
XLogP3.60
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 167238457) is N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is CN1CCC(N(C(=O)c2ccc(-n3nnc4cccnc43)cc2)c2ncccc2Cl)CC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
The InChIKey is GCQCFXVSHMDLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-29-14-10-17(11-15-29)30(21-19(24)4-2-12-25-21)23(32)16-6-8-18(9-7-16)31-22-20(27-28-31)5-3-13-26-22/h2-9,12-13,17H,10-11,14-15H2,1H3.
What are the key properties of N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?
N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 447.93 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-N-(1-methylpiperidin-4-yl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 167238457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).