2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide

C12H19N5 — CID 28745079

IUPAC2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCCN(C)CC2)c1
InChIInChI=1S/C12H19N5/c1-16-5-2-6-17(8-7-16)11-9-10(12(13)14)3-4-15-11/h3-4,9H,2,5-8H2,1H3,(H3,13,14)
InChIKeyAAAKOKMIVJXTPP-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.51
Rot. Bonds2

About 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide

2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide (PubChem CID 28745079) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide
PubChem CID28745079
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCCN(C)CC2)c1
InChIInChI=1S/C12H19N5/c1-16-5-2-6-17(8-7-16)11-9-10(12(13)14)3-4-15-11/h3-4,9H,2,5-8H2,1H3,(H3,13,14)
InChIKeyAAAKOKMIVJXTPP-UHFFFAOYSA-N
XLogP0.51
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
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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Related Compounds

2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
CID 43585311
2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
CID 62973407
4-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carboximidamide
CID 55156475
2-[4-(2-methylpropyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 55116927
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
1-(4-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 118140327
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pyridine-4-carboximidamide
CID 81464752
(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide
CID 124993865
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
CID 62352348
2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
CID 24691587

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide?
The IUPAC name of 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide (CID 28745079) is 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide?
The canonical SMILES for 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCCN(C)CC2)c1.
What is the InChIKey of 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide?
The InChIKey is AAAKOKMIVJXTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-16-5-2-6-17(8-7-16)11-9-10(12(13)14)3-4-15-11/h3-4,9H,2,5-8H2,1H3,(H3,13,14).
What are the key properties of 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide?
2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide is sourced from PubChem (CID 28745079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).