N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide

C23H18N6O — CID 91182288

IUPACN-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=C(C#N)C(c3ccc4[nH]ncc4c3)C(C#N)C(C)=N2)c1
InChIInChI=1S/C23H18N6O/c1-13-19(10-24)22(15-6-7-21-17(8-15)12-26-29-21)20(11-25)23(27-13)16-4-3-5-18(9-16)28-14(2)30/h3-9,12,19,22H,1-2H3,(H,26,29)(H,28,30)
InChIKeyNYPLISDZEXABRB-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.15
Rot. Bonds3

About N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide

N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide (PubChem CID 91182288) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide
PubChem CID91182288
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC NameN-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=C(C#N)C(c3ccc4[nH]ncc4c3)C(C#N)C(C)=N2)c1
InChIInChI=1S/C23H18N6O/c1-13-19(10-24)22(15-6-7-21-17(8-15)12-26-29-21)20(11-25)23(27-13)16-4-3-5-18(9-16)28-14(2)30/h3-9,12,19,22H,1-2H3,(H,26,29)(H,28,30)
InChIKeyNYPLISDZEXABRB-UHFFFAOYSA-N
XLogP4.15
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-indazol-5-yl)phenyl]acetamide
CID 56712448
6-(4-cyanophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91134729
2-(3-aminophenyl)-4-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957630
N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]benzamide
CID 91070014
ethane;N-[3-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenyl]acetamide
CID 90856959
N-(1H-indazol-5-yl)-6-methyl-2-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxamide
CID 11496831
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
N-(1H-indazol-5-yl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 55523782
N-(1H-indazol-5-yl)-4-methyl-2-oxo-6-[4-[4-(trifluoromethyl)phenyl]phenyl]-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91372536
6-(3-chlorophenyl)-N-(1H-indazol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91362790
N-[3-(3-cyanopyrazin-2-yl)phenyl]acetamide
CID 50983123
N-(1H-indazol-5-yl)-4-methyl-6-naphthalen-1-yl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxamide
CID 91500375

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide (CID 91182288) is N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2=C(C#N)C(c3ccc4[nH]ncc4c3)C(C#N)C(C)=N2)c1.
What is the InChIKey of N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide?
The InChIKey is NYPLISDZEXABRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-13-19(10-24)22(15-6-7-21-17(8-15)12-26-29-21)20(11-25)23(27-13)16-4-3-5-18(9-16)28-14(2)30/h3-9,12,19,22H,1-2H3,(H,26,29)(H,28,30).
What are the key properties of N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide?
N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide has a molecular weight of 394.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,5-dicyano-4-(1H-indazol-5-yl)-2-methyl-3,4-dihydropyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 91182288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).