N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C27H28N6O3 — CID 177170048

IUPACN,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(Oc3ccccc3)cc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2[nH]1
InChIInChI=1S/C27H28N6O3/c1-31(2)27(35)24-17-22-23(29-24)15-20(16-25(22)36-21-8-4-3-5-9-21)19-7-6-12-32(18-19)26(34)10-13-33-14-11-28-30-33/h3-5,7-9,11,14-17,29H,6,10,12-13,18H2,1-2H3
InChIKeyLXSXROSSHNDVBH-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.96
Rot. Bonds7

About N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 177170048) has the molecular formula C27H28N6O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
PubChem CID177170048
Molecular FormulaC27H28N6O3
Molecular Weight484.56 g/mol
Exact Mass484.22
IUPAC NameN,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(Oc3ccccc3)cc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2[nH]1
InChIInChI=1S/C27H28N6O3/c1-31(2)27(35)24-17-22-23(29-24)15-20(16-25(22)36-21-8-4-3-5-9-21)19-7-6-12-32(18-19)26(34)10-13-33-14-11-28-30-33/h3-5,7-9,11,14-17,29H,6,10,12-13,18H2,1-2H3
InChIKeyLXSXROSSHNDVBH-UHFFFAOYSA-N
XLogP3.96
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of 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) is N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2c(Oc3ccccc3)cc(C3=CCCN(C(=O)CCn4ccnn4)C3)cc2[nH]1.
What is the InChIKey of N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The InChIKey is LXSXROSSHNDVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O3/c1-31(2)27(35)24-17-22-23(29-24)15-20(16-25(22)36-21-8-4-3-5-9-21)19-7-6-12-32(18-19)26(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-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-phenoxy-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177170048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).