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

C21H24N6O2 — CID 177171981

IUPACN,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(C3=CCCN(C(=O)CCn4ccnn4)C3)c[nH]c2c1
InChIInChI=1S/C21H24N6O2/c1-25(2)21(29)15-5-6-17-18(13-22-19(17)12-15)16-4-3-9-26(14-16)20(28)7-10-27-11-8-23-24-27/h4-6,8,11-13,22H,3,7,9-10,14H2,1-2H3
InChIKeyRZEYSCQGMOCMCF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.17
Rot. Bonds5

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

N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide (PubChem CID 177171981) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide
PubChem CID177171981
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(C3=CCCN(C(=O)CCn4ccnn4)C3)c[nH]c2c1
InChIInChI=1S/C21H24N6O2/c1-25(2)21(29)15-5-6-17-18(13-22-19(17)12-15)16-4-3-9-26(14-16)20(28)7-10-27-11-8-23-24-27/h4-6,8,11-13,22H,3,7,9-10,14H2,1-2H3
InChIKeyRZEYSCQGMOCMCF-UHFFFAOYSA-N
XLogP2.17
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide?
The IUPAC name of N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide (CID 177171981) is N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide is CN(C)C(=O)c1ccc2c(C3=CCCN(C(=O)CCn4ccnn4)C3)c[nH]c2c1.
What is the InChIKey of N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide?
The InChIKey is RZEYSCQGMOCMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-25(2)21(29)15-5-6-17-18(13-22-19(17)12-15)16-4-3-9-26(14-16)20(28)7-10-27-11-8-23-24-27/h4-6,8,11-13,22H,3,7,9-10,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide?
N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 177171981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).