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

C40H39ClFN7O2 — CID 118154797

IUPACN-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C40H39ClFN7O2/c41-36-8-6-28(21-34(36)30-3-1-15-43-24-30)39(50)47-33-13-19-49(20-14-33)38-10-5-27(23-45-38)26-48-17-11-32(12-18-48)46-40(51)29-7-9-37(42)35(22-29)31-4-2-16-44-25-31/h1-10,15-16,21-25,32-33H,11-14,17-20,26H2,(H,46,51)(H,47,50)
InChIKeyZHWJPUVTTLORTI-UHFFFAOYSA-N
MW704.25 g/mol
LogP6.79
Rot. Bonds9

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

N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide (PubChem CID 118154797) has the molecular formula C40H39ClFN7O2 and a molecular weight of 704.25 g/mol. Its IUPAC name is N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
PubChem CID118154797
Molecular FormulaC40H39ClFN7O2
Molecular Weight704.25 g/mol
Exact Mass703.28
IUPAC NameN-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide
SMILESO=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1
InChIInChI=1S/C40H39ClFN7O2/c41-36-8-6-28(21-34(36)30-3-1-15-43-24-30)39(50)47-33-13-19-49(20-14-33)38-10-5-27(23-45-38)26-48-17-11-32(12-18-48)46-40(51)29-7-9-37(42)35(22-29)31-4-2-16-44-25-31/h1-10,15-16,21-25,32-33H,11-14,17-20,26H2,(H,46,51)(H,47,50)
InChIKeyZHWJPUVTTLORTI-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-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide?
The IUPAC name of N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide (CID 118154797) is N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide?
The canonical SMILES for N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide is O=C(NC1CCN(Cc2ccc(N3CCC(NC(=O)c4ccc(Cl)c(-c5cccnc5)c4)CC3)nc2)CC1)c1ccc(F)c(-c2cccnc2)c1.
What is the InChIKey of N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide?
The InChIKey is ZHWJPUVTTLORTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39ClFN7O2/c41-36-8-6-28(21-34(36)30-3-1-15-43-24-30)39(50)47-33-13-19-49(20-14-33)38-10-5-27(23-45-38)26-48-17-11-32(12-18-48)46-40(51)29-7-9-37(42)35(22-29)31-4-2-16-44-25-31/h1-10,15-16,21-25,32-33H,11-14,17-20,26H2,(H,46,51)(H,47,50).
What are the key properties of N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide?
N-[1-[[6-[4-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-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-[(4-chloro-3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]-4-fluoro-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 118154797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).