N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide

C17H20N4 — CID 110983974

IUPACN'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1cccc(C)n1)N1CCc2ccccc21
InChIInChI=1S/C17H20N4/c1-13-6-5-8-15(20-13)12-19-17(18-2)21-11-10-14-7-3-4-9-16(14)21/h3-9H,10-12H2,1-2H3,(H,18,19)
InChIKeyDIPCKINTUPWIKP-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.53
Rot. Bonds2

About N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983974) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110983974
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1cccc(C)n1)N1CCc2ccccc21
InChIInChI=1S/C17H20N4/c1-13-6-5-8-15(20-13)12-19-17(18-2)21-11-10-14-7-3-4-9-16(14)21/h3-9H,10-12H2,1-2H3,(H,18,19)
InChIKeyDIPCKINTUPWIKP-UHFFFAOYSA-N
XLogP2.53
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 111495398
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984898
4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111184883
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
2-[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116485
N'-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983986
ethyl 4-[N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163268
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294
N-[3-[[[C-(2,3-dihydroindol-1-yl)-N-methylcarbonimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 110984827

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide (CID 110983974) is N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1cccc(C)n1)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is DIPCKINTUPWIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13-6-5-8-15(20-13)12-19-17(18-2)21-11-10-14-7-3-4-9-16(14)21/h3-9H,10-12H2,1-2H3,(H,18,19).
What are the key properties of N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 280.38 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).