N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide

C40H39ClFN7O2 — CID 118154800

IUPACN-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1F
InChIInChI=1S/C40H39ClFN7O2/c41-37-32(28-5-3-17-43-24-28)7-1-9-34(37)39(50)46-31-15-21-49(22-16-31)36-12-11-27(23-45-36)26-48-19-13-30(14-20-48)47-40(51)35-10-2-8-33(38(35)42)29-6-4-18-44-25-29/h1-12,17-18,23-25,30-31H,13-16,19-22,26H2,(H,46,50)(H,47,51)
InChIKeyGUXKWPTWEUWJGZ-UHFFFAOYSA-N
MW704.25 g/mol
LogP6.79
Rot. Bonds9

About N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide

N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide (PubChem CID 118154800) has the molecular formula C40H39ClFN7O2 and a molecular weight of 704.25 g/mol. Its IUPAC name is N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide
PubChem CID118154800
Molecular FormulaC40H39ClFN7O2
Molecular Weight704.25 g/mol
Exact Mass703.28
IUPAC NameN-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1F
InChIInChI=1S/C40H39ClFN7O2/c41-37-32(28-5-3-17-43-24-28)7-1-9-34(37)39(50)46-31-15-21-49(22-16-31)36-12-11-27(23-45-36)26-48-19-13-30(14-20-48)47-40(51)35-10-2-8-33(38(35)42)29-6-4-18-44-25-29/h1-12,17-18,23-25,30-31H,13-16,19-22,26H2,(H,46,50)(H,47,51)
InChIKeyGUXKWPTWEUWJGZ-UHFFFAOYSA-N
XLogP6.79
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.25
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide (CID 118154800) is N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide is O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4cccc(-c5cccnc5)c4Cl)CC3)nc2)CC1)c1cccc(-c2cccnc2)c1F.
What is the InChIKey of N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide?
The InChIKey is GUXKWPTWEUWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39ClFN7O2/c41-37-32(28-5-3-17-43-24-28)7-1-9-34(37)39(50)46-31-15-21-49(22-16-31)36-12-11-27(23-45-36)26-48-19-13-30(14-20-48)47-40(51)35-10-2-8-33(38(35)42)29-6-4-18-44-25-29/h1-12,17-18,23-25,30-31H,13-16,19-22,26H2,(H,46,50)(H,47,51).
What are the key properties of N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide?
N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide has a molecular weight of 704.25 g/mol, XLogP of 6.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-[4-[(2-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-2-fluoro-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 118154800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).