6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide

C21H25N7O — CID 134293806

IUPAC6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
SMILESC/N=C(\C=C(C)C)CNc1nc(C)nc2ccn(Cc3cccc(C(N)=O)n3)c12
InChIInChI=1S/C21H25N7O/c1-13(2)10-16(23-4)11-24-21-19-17(25-14(3)26-21)8-9-28(19)12-15-6-5-7-18(27-15)20(22)29/h5-10H,11-12H2,1-4H3,(H2,22,29)(H,24,25,26)/b23-16+
InChIKeyYDDISJLVGOQUSH-XQNSMLJCSA-N
MW391.48 g/mol
LogP2.73
Rot. Bonds7

About 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide

6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 134293806) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
PubChem CID134293806
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
SMILESC/N=C(\C=C(C)C)CNc1nc(C)nc2ccn(Cc3cccc(C(N)=O)n3)c12
InChIInChI=1S/C21H25N7O/c1-13(2)10-16(23-4)11-24-21-19-17(25-14(3)26-21)8-9-28(19)12-15-6-5-7-18(27-15)20(22)29/h5-10H,11-12H2,1-4H3,(H2,22,29)(H,24,25,26)/b23-16+
InChIKeyYDDISJLVGOQUSH-XQNSMLJCSA-N
XLogP2.73
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[[2-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide
CID 126585792
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585795
3-[(5-benzyl-2-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
CID 126585719
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585667
N-butyl-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126585768
6-(aminomethyl)pyridine-2-carboxamide;hydrochloride
CID 68864841
N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 126585783
6-(bromomethyl)pyridine-2-carboxamide
CID 91240807
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111
1-[(6-methyl-2-pyridinyl)methyl]indol-7-amine
CID 114935790
6-[(5-aminoindol-1-yl)methyl]-N-tert-butylpyridine-2-carboxamide
CID 68669781

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide (CID 134293806) is 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide is C/N=C(\C=C(C)C)CNc1nc(C)nc2ccn(Cc3cccc(C(N)=O)n3)c12.
What is the InChIKey of 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is YDDISJLVGOQUSH-XQNSMLJCSA-N. The full InChI is InChI=1S/C21H25N7O/c1-13(2)10-16(23-4)11-24-21-19-17(25-14(3)26-21)8-9-28(19)12-15-6-5-7-18(27-15)20(22)29/h5-10H,11-12H2,1-4H3,(H2,22,29)(H,24,25,26)/b23-16+.
What are the key properties of 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide?
6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-4-[(4-methyl-2-methyliminopent-3-enyl)amino]pyrrolo[3,2-d]pyrimidin-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 134293806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).