N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide

C28H23N5O2 — CID 108769540

IUPACN-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide
SMILESCc1cc(-n2ncc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C28H23N5O2/c1-19-15-26(31-25-10-5-4-9-24(19)25)33-28(22(17-29)18-30-33)32-27(34)11-6-14-35-23-13-12-20-7-2-3-8-21(20)16-23/h2-5,7-10,12-13,15-16,18H,6,11,14H2,1H3,(H,32,34)
InChIKeyNPFPFDNORRGOSH-UHFFFAOYSA-N
MW461.53 g/mol
LogP5.55
Rot. Bonds7

About N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide

N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide (PubChem CID 108769540) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide
PubChem CID108769540
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC NameN-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide
SMILESCc1cc(-n2ncc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)nc2ccccc12
InChIInChI=1S/C28H23N5O2/c1-19-15-26(31-25-10-5-4-9-24(19)25)33-28(22(17-29)18-30-33)32-27(34)11-6-14-35-23-13-12-20-7-2-3-8-21(20)16-23/h2-5,7-10,12-13,15-16,18H,6,11,14H2,1H3,(H,32,34)
InChIKeyNPFPFDNORRGOSH-UHFFFAOYSA-N
XLogP5.55
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenoxy)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108802409
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-(4-methoxyphenoxy)butanamide
CID 108769476
2-(4-bromophenyl)-N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108747436
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-3-(4-ethylphenoxy)propanamide
CID 108747339
3-(4-chlorophenoxy)-N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]propanamide
CID 108746786
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-ethoxybenzenesulfonamide
CID 108784037
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 108769497
2-cyano-N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]acetamide
CID 108769426
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]butanamide
CID 108800834
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide
CID 108747297
N-[4-cyano-1-(4,8-dimethylquinolin-2-yl)pyrazol-5-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108769465
N-[4-cyano-1-(4,6,8-trimethylquinolin-2-yl)pyrazol-5-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 108746806

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide (CID 108769540) is N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide is Cc1cc(-n2ncc(C#N)c2NC(=O)CCCOc2ccc3ccccc3c2)nc2ccccc12.
What is the InChIKey of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide?
The InChIKey is NPFPFDNORRGOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-19-15-26(31-25-10-5-4-9-24(19)25)33-28(22(17-29)18-30-33)32-27(34)11-6-14-35-23-13-12-20-7-2-3-8-21(20)16-23/h2-5,7-10,12-13,15-16,18H,6,11,14H2,1H3,(H,32,34).
What are the key properties of N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide?
N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide has a molecular weight of 461.53 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(4-methylquinolin-2-yl)pyrazol-5-yl]-4-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 108769540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).