N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide

C24H20ClFN8O — CID 67131300

IUPACN-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide
SMILESCn1nnc(-c2c(F)cccc2-c2ccc(CCNc3nccc(Cl)c3NC(=O)CC#N)cc2)n1
InChIInChI=1S/C24H20ClFN8O/c1-34-32-23(31-33-34)21-17(3-2-4-19(21)26)16-7-5-15(6-8-16)10-13-28-24-22(18(25)11-14-29-24)30-20(35)9-12-27/h2-8,11,14H,9-10,13H2,1H3,(H,28,29)(H,30,35)
InChIKeyLCHRDJVIOZJFNS-UHFFFAOYSA-N
MW490.93 g/mol
LogP4.24
Rot. Bonds8

About N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide

N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide (PubChem CID 67131300) has the molecular formula C24H20ClFN8O and a molecular weight of 490.93 g/mol. Its IUPAC name is N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide
PubChem CID67131300
Molecular FormulaC24H20ClFN8O
Molecular Weight490.93 g/mol
Exact Mass490.14
IUPAC NameN-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide
SMILESCn1nnc(-c2c(F)cccc2-c2ccc(CCNc3nccc(Cl)c3NC(=O)CC#N)cc2)n1
InChIInChI=1S/C24H20ClFN8O/c1-34-32-23(31-33-34)21-17(3-2-4-19(21)26)16-7-5-15(6-8-16)10-13-28-24-22(18(25)11-14-29-24)30-20(35)9-12-27/h2-8,11,14H,9-10,13H2,1H3,(H,28,29)(H,30,35)
InChIKeyLCHRDJVIOZJFNS-UHFFFAOYSA-N
XLogP4.24
TPSA121.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.93
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide with MolForge

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Related Compounds

methyl 2-[4-[2-[[4-chloro-3-[(2-cyanoacetyl)amino]-2-pyridinyl]amino]ethyl]phenyl]-6-fluorobenzoate
CID 67131120
N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide
CID 11259064
N-[4-chloro-2-[1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10075786
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-cyanoacetamide
CID 115173289
N-[2-(4-chlorophenyl)ethyl]-N'-(2,6-difluorophenyl)propanediamide
CID 108949880
N-[2-(4-fluorophenyl)ethyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7306317
methyl 2-[4-[[[3-(3-cyanopropanoylamino)-4-methyl-2-pyridinyl]amino]methyl]phenyl]-6-methylbenzoate
CID 11744072
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107056743
3-[2-(4-chlorophenyl)ethylamino]pyridazine-4-carbonitrile
CID 80510280
2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide
CID 168522527

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide?
The IUPAC name of N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide (CID 67131300) is N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide.
What is the SMILES notation for N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide?
The canonical SMILES for N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide is Cn1nnc(-c2c(F)cccc2-c2ccc(CCNc3nccc(Cl)c3NC(=O)CC#N)cc2)n1.
What is the InChIKey of N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide?
The InChIKey is LCHRDJVIOZJFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN8O/c1-34-32-23(31-33-34)21-17(3-2-4-19(21)26)16-7-5-15(6-8-16)10-13-28-24-22(18(25)11-14-29-24)30-20(35)9-12-27/h2-8,11,14H,9-10,13H2,1H3,(H,28,29)(H,30,35).
What are the key properties of N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide?
N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide has a molecular weight of 490.93 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide is sourced from PubChem (CID 67131300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).