5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C20H25N7O2 — CID 177171483

IUPAC5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCN4C=CNN4)C3)cnc2[nH]1
InChIInChI=1S/C20H25N7O2/c1-25(2)20(29)17-11-15-10-16(12-21-19(15)23-17)14-4-3-7-26(13-14)18(28)5-8-27-9-6-22-24-27/h4,6,9-12,22,24H,3,5,7-8,13H2,1-2H3,(H,21,23)
InChIKeyVXUAIXQOWWHBEV-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.07
Rot. Bonds5

About 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 177171483) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID177171483
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCN4C=CNN4)C3)cnc2[nH]1
InChIInChI=1S/C20H25N7O2/c1-25(2)20(29)17-11-15-10-16(12-21-19(15)23-17)14-4-3-7-26(13-14)18(28)5-8-27-9-6-22-24-27/h4,6,9-12,22,24H,3,5,7-8,13H2,1-2H3,(H,21,23)
InChIKeyVXUAIXQOWWHBEV-UHFFFAOYSA-N
XLogP1.07
TPSA96.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 177171483) is 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)CCN4C=CNN4)C3)cnc2[nH]1.
What is the InChIKey of 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is VXUAIXQOWWHBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-25(2)20(29)17-11-15-10-16(12-21-19(15)23-17)14-4-3-7-26(13-14)18(28)5-8-27-9-6-22-24-27/h4,6,9-12,22,24H,3,5,7-8,13H2,1-2H3,(H,21,23).
What are the key properties of 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(1,2-dihydrotriazol-3-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 177171483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).