N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide

C23H26N8O — CID 135262295

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(Nc3ccncc3C(=O)N(C)CCN(C)C)c3cccn3n2)n1
InChIInChI=1S/C23H26N8O/c1-16-7-5-8-19(25-16)21-27-22(20-9-6-12-31(20)28-21)26-18-10-11-24-15-17(18)23(32)30(4)14-13-29(2)3/h5-12,15H,13-14H2,1-4H3,(H,24,26,27,28)
InChIKeyNFNDGNFYOCWZAI-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.87
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 135262295) has the molecular formula C23H26N8O and a molecular weight of 430.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
PubChem CID135262295
Molecular FormulaC23H26N8O
Molecular Weight430.52 g/mol
Exact Mass430.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
SMILESCc1cccc(-c2nc(Nc3ccncc3C(=O)N(C)CCN(C)C)c3cccn3n2)n1
InChIInChI=1S/C23H26N8O/c1-16-7-5-8-19(25-16)21-27-22(20-9-6-12-31(20)28-21)26-18-10-11-24-15-17(18)23(32)30(4)14-13-29(2)3/h5-12,15H,13-14H2,1-4H3,(H,24,26,27,28)
InChIKeyNFNDGNFYOCWZAI-UHFFFAOYSA-N
XLogP2.87
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate
CID 126499612
N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 135271389
1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanone
CID 126499747
4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 126499704
4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1H-pyrazol-5-ylmethyl)pyridine-3-carboxamide
CID 126484378
1-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl]ethenol
CID 126499469
N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
CID 135262091
4-[[2-[6-[difluoro(iodo)methyl]-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 126499737
5-ethyl-N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163501692
N-[3-(difluoromethyl)-4-pyridinyl]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 135262249
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499823
4-[[2-(6-methyl-2-pyridinyl)-5-propan-2-ylpyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 163287152

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide (CID 135262295) is N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide is Cc1cccc(-c2nc(Nc3ccncc3C(=O)N(C)CCN(C)C)c3cccn3n2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is NFNDGNFYOCWZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O/c1-16-7-5-8-19(25-16)21-27-22(20-9-6-12-31(20)28-21)26-18-10-11-24-15-17(18)23(32)30(4)14-13-29(2)3/h5-12,15H,13-14H2,1-4H3,(H,24,26,27,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-methyl-4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135262295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).