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

C22H26N6O2 — CID 177169921

IUPACN,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCc1cnnn1CCC(=O)N1CCC=C(c2ccc3cc(C(=O)N(C)C)[nH]c3c2)C1
InChIInChI=1S/C22H26N6O2/c1-15-13-23-25-28(15)10-8-21(29)27-9-4-5-18(14-27)16-6-7-17-12-20(22(30)26(2)3)24-19(17)11-16/h5-7,11-13,24H,4,8-10,14H2,1-3H3
InChIKeyXYLWRVYFCZWHOD-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.48
Rot. Bonds5

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

N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 177169921) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
PubChem CID177169921
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
SMILESCc1cnnn1CCC(=O)N1CCC=C(c2ccc3cc(C(=O)N(C)C)[nH]c3c2)C1
InChIInChI=1S/C22H26N6O2/c1-15-13-23-25-28(15)10-8-21(29)27-9-4-5-18(14-27)16-6-7-17-12-20(22(30)26(2)3)24-19(17)11-16/h5-7,11-13,24H,4,8-10,14H2,1-3H3
InChIKeyXYLWRVYFCZWHOD-UHFFFAOYSA-N
XLogP2.48
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 177169921) is N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is Cc1cnnn1CCC(=O)N1CCC=C(c2ccc3cc(C(=O)N(C)C)[nH]c3c2)C1.
What is the InChIKey of N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
The InChIKey is XYLWRVYFCZWHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-13-23-25-28(15)10-8-21(29)27-9-4-5-18(14-27)16-6-7-17-12-20(22(30)26(2)3)24-19(17)11-16/h5-7,11-13,24H,4,8-10,14H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?
N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 177169921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).