N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide

C25H24ClFN6O3 — CID 170715602

IUPACN-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cc(OC4CCN(C)CC4F)cc(C#N)n3)nc2)ncc1Cl
InChIInChI=1S/C25H24ClFN6O3/c1-33-6-5-22(19(27)14-33)36-17-8-16(11-28)31-21(9-17)20-4-3-15(12-29-20)7-25(34)32-24-10-23(35-2)18(26)13-30-24/h3-4,8-10,12-13,19,22H,5-7,14H2,1-2H3,(H,30,32,34)
InChIKeyNTQQTDKIADYKDW-UHFFFAOYSA-N
MW510.96 g/mol
LogP3.67
Rot. Bonds7

About N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide

N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide (PubChem CID 170715602) has the molecular formula C25H24ClFN6O3 and a molecular weight of 510.96 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide
PubChem CID170715602
Molecular FormulaC25H24ClFN6O3
Molecular Weight510.96 g/mol
Exact Mass510.16
IUPAC NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cc(OC4CCN(C)CC4F)cc(C#N)n3)nc2)ncc1Cl
InChIInChI=1S/C25H24ClFN6O3/c1-33-6-5-22(19(27)14-33)36-17-8-16(11-28)31-21(9-17)20-4-3-15(12-29-20)7-25(34)32-24-10-23(35-2)18(26)13-30-24/h3-4,8-10,12-13,19,22H,5-7,14H2,1-2H3,(H,30,32,34)
InChIKeyNTQQTDKIADYKDW-UHFFFAOYSA-N
XLogP3.67
TPSA113.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.96
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide?
The IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide (CID 170715602) is N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide is COc1cc(NC(=O)Cc2ccc(-c3cc(OC4CCN(C)CC4F)cc(C#N)n3)nc2)ncc1Cl.
What is the InChIKey of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide?
The InChIKey is NTQQTDKIADYKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN6O3/c1-33-6-5-22(19(27)14-33)36-17-8-16(11-28)31-21(9-17)20-4-3-15(12-29-20)7-25(34)32-24-10-23(35-2)18(26)13-30-24/h3-4,8-10,12-13,19,22H,5-7,14H2,1-2H3,(H,30,32,34).
What are the key properties of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide?
N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide has a molecular weight of 510.96 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[6-[6-cyano-4-(3-fluoro-1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 170715602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).