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

C23H28N6O2 — CID 176933015

IUPACN,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C)cc2cc(C3=CCCN(C(=O)CCn4ccnn4)C3)n(C)c12
InChIInChI=1S/C23H28N6O2/c1-16-12-19(23(31)26(2)3)13-18-14-20(27(4)22(16)18)17-6-5-9-28(15-17)21(30)7-10-29-11-8-24-25-29/h6,8,11-14H,5,7,9-10,15H2,1-4H3
InChIKeyMVJHSTPVSQJVPZ-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.49
Rot. Bonds5

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

N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide (PubChem CID 176933015) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide.

Molecular Properties

Compound NameN,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide
PubChem CID176933015
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC NameN,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C)cc2cc(C3=CCCN(C(=O)CCn4ccnn4)C3)n(C)c12
InChIInChI=1S/C23H28N6O2/c1-16-12-19(23(31)26(2)3)13-18-14-20(27(4)22(16)18)17-6-5-9-28(15-17)21(30)7-10-29-11-8-24-25-29/h6,8,11-14H,5,7,9-10,15H2,1-4H3
InChIKeyMVJHSTPVSQJVPZ-UHFFFAOYSA-N
XLogP2.49
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

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
N,N-dimethyl-3-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-6-carboxamide
CID 177171981
2-hydroxy-N,N-dimethyl-4-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]benzamide
CID 176815292
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
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
methyl 2-[2-(dimethylcarbamoyl)-5-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]phenoxy]acetate
CID 176815277
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
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
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
7-fluoro-6-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxylic acid
CID 176933045
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
1-[5-[7-bromo-1-(cyclopropylmethyl)-5-(1-ethyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)indol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 176811478

Frequently Asked Questions

What is the IUPAC name of N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide?
The IUPAC name of N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide (CID 176933015) is N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide.
What is the SMILES notation for N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide?
The canonical SMILES for N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide is Cc1cc(C(=O)N(C)C)cc2cc(C3=CCCN(C(=O)CCn4ccnn4)C3)n(C)c12.
What is the InChIKey of N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide?
The InChIKey is MVJHSTPVSQJVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-12-19(23(31)26(2)3)13-18-14-20(27(4)22(16)18)17-6-5-9-28(15-17)21(30)7-10-29-11-8-24-25-29/h6,8,11-14H,5,7,9-10,15H2,1-4H3.
What are the key properties of N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide?
N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,7-tetramethyl-2-[1-[3-(triazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]indole-5-carboxamide is sourced from PubChem (CID 176933015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).