N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide

C27H28N6O2 — CID 177170767

IUPACN,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c2[nH]c(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2c1
InChIInChI=1S/C27H28N6O2/c1-31(2)27(35)22-15-21-17-24(29-26(21)23(16-22)19-7-4-3-5-8-19)20-9-6-12-32(18-20)25(34)10-13-33-14-11-28-30-33/h3-5,7-9,11,14-17,29H,6,10,12-13,18H2,1-2H3
InChIKeyJSHCALNCEDVNMJ-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.83
Rot. Bonds6

About N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide

N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide (PubChem CID 177170767) has the molecular formula C27H28N6O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide
PubChem CID177170767
Molecular FormulaC27H28N6O2
Molecular Weight468.56 g/mol
Exact Mass468.23
IUPAC NameN,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide
SMILESCN(C)C(=O)c1cc(-c2ccccc2)c2[nH]c(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2c1
InChIInChI=1S/C27H28N6O2/c1-31(2)27(35)22-15-21-17-24(29-26(21)23(16-22)19-7-4-3-5-8-19)20-9-6-12-32(18-20)25(34)10-13-33-14-11-28-30-33/h3-5,7-9,11,14-17,29H,6,10,12-13,18H2,1-2H3
InChIKeyJSHCALNCEDVNMJ-UHFFFAOYSA-N
XLogP3.83
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide
CID 177171981
N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide
CID 176933015
2-hydroxy-N,N-dimethyl-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]benzamide
CID 176815292
8-(2-methoxyphenyl)-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]naphthalene-2-carboxamide
CID 176815285
N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170048
7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid
CID 176933045
1-[5-(7-fluoro-2-methyl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one;formic acid
CID 177170193
1-[5-(2-pyridazin-3-yl-1H-indol-6-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 177170462
methyl 2-[2-(dimethylcarbamoyl)-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenoxy]acetate
CID 176815277
7-(1H-indazol-5-yl)-N,N-dimethyl-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
CID 177171527
N,N-dimethyl-7-(piperidin-1-ylmethyl)-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
CID 177171131
7-fluoro-4-(3-methoxy-5-methyl-4-pyridinyl)-N,N-dimethyl-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177171937

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide?
The IUPAC name of N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide (CID 177170767) is N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide is CN(C)C(=O)c1cc(-c2ccccc2)c2[nH]c(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2c1.
What is the InChIKey of N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide?
The InChIKey is JSHCALNCEDVNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2/c1-31(2)27(35)22-15-21-17-24(29-26(21)23(16-22)19-7-4-3-5-8-19)20-9-6-12-32(18-20)25(34)10-13-33-14-11-28-30-33/h3-5,7-9,11,14-17,29H,6,10,12-13,18H2,1-2H3.
What are the key properties of N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide?
N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-phenyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 177170767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).