N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide

C27H36N6O3 — CID 177170560

IUPACN,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide
SMILESCN1C=CN(CCC(=O)N2CCC=C(c3cc(C4CCNCC4)c4oc(C(=O)N(C)C)cc4c3)C2)N1
InChIInChI=1S/C27H36N6O3/c1-30(2)27(35)24-17-22-15-21(16-23(26(22)36-24)19-6-9-28-10-7-19)20-5-4-11-32(18-20)25(34)8-12-33-14-13-31(3)29-33/h5,13-17,19,28-29H,4,6-12,18H2,1-3H3
InChIKeyCXGYYAXLZMXKGN-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.75
Rot. Bonds6

About N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide

N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide (PubChem CID 177170560) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide
PubChem CID177170560
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC NameN,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide
SMILESCN1C=CN(CCC(=O)N2CCC=C(c3cc(C4CCNCC4)c4oc(C(=O)N(C)C)cc4c3)C2)N1
InChIInChI=1S/C27H36N6O3/c1-30(2)27(35)24-17-22-15-21(16-23(26(22)36-24)19-6-9-28-10-7-19)20-5-4-11-32(18-20)25(34)8-12-33-14-13-31(3)29-33/h5,13-17,19,28-29H,4,6-12,18H2,1-3H3
InChIKeyCXGYYAXLZMXKGN-UHFFFAOYSA-N
XLogP2.75
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide (CID 177170560) is N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide is CN1C=CN(CCC(=O)N2CCC=C(c3cc(C4CCNCC4)c4oc(C(=O)N(C)C)cc4c3)C2)N1.
What is the InChIKey of N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide?
The InChIKey is CXGYYAXLZMXKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-30(2)27(35)24-17-22-15-21(16-23(26(22)36-24)19-6-9-28-10-7-19)20-5-4-11-32(18-20)25(34)8-12-33-14-13-31(3)29-33/h5,13-17,19,28-29H,4,6-12,18H2,1-3H3.
What are the key properties of N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide?
N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-[3-(3-methyl-2H-triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-7-piperidin-4-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 177170560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).