4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide

C19H23N5 — CID 145105725

IUPAC4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc(-c3cccnc3C)cc2)CNCC1
InChIInChI=1S/C19H23N5/c1-13-16(4-3-10-23-13)14-5-7-15(8-6-14)24-19(20)17-12-22-11-9-18(17)21-2/h3-8,10,21-22H,9,11-12H2,1-2H3,(H2,20,24)
InChIKeyHYFQIHSLUMGYRW-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.51
Rot. Bonds4

About 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide

4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide (PubChem CID 145105725) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide.

Molecular Properties

Compound Name4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide
PubChem CID145105725
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide
SMILESCNC1=C(/C(N)=N/c2ccc(-c3cccnc3C)cc2)CNCC1
InChIInChI=1S/C19H23N5/c1-13-16(4-3-10-23-13)14-5-7-15(8-6-14)24-19(20)17-12-22-11-9-18(17)21-2/h3-8,10,21-22H,9,11-12H2,1-2H3,(H2,20,24)
InChIKeyHYFQIHSLUMGYRW-UHFFFAOYSA-N
XLogP2.51
TPSA75.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide?
The IUPAC name of 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide (CID 145105725) is 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide.
What is the SMILES notation for 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide?
The canonical SMILES for 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide is CNC1=C(/C(N)=N/c2ccc(-c3cccnc3C)cc2)CNCC1.
What is the InChIKey of 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide?
The InChIKey is HYFQIHSLUMGYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-13-16(4-3-10-23-13)14-5-7-15(8-6-14)24-19(20)17-12-22-11-9-18(17)21-2/h3-8,10,21-22H,9,11-12H2,1-2H3,(H2,20,24).
What are the key properties of 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide?
4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide has a molecular weight of 321.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N'-[4-(2-methyl-3-pyridinyl)phenyl]-1,2,3,6-tetrahydropyridine-5-carboximidamide is sourced from PubChem (CID 145105725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).