N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide

C9H12ClN3 — CID 19967186

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C9H12ClN3/c1-7(11)13(2)6-8-3-4-9(10)12-5-8/h3-5,11H,6H2,1-2H3/b11-7+
InChIKeyJHZWQGRBAHJYIZ-YRNVUSSQSA-N
MW197.67 g/mol
LogP2.16
Rot. Bonds2

About N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide

N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide (PubChem CID 19967186) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
PubChem CID19967186
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C9H12ClN3/c1-7(11)13(2)6-8-3-4-9(10)12-5-8/h3-5,11H,6H2,1-2H3/b11-7+
InChIKeyJHZWQGRBAHJYIZ-YRNVUSSQSA-N
XLogP2.16
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
3-[(6-chloro-3-pyridinyl)methyl-methylamino]but-2-enenitrile
CID 74600450
acetic acid;N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide
CID 172777210
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
(6-chloro-3-pyridinyl)methyl-methylcyanamide
CID 119085201
3-[(6-chloro-3-pyridinyl)methyl-methylamino]propan-1-ol
CID 111543545
1-[[(6-chloro-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 115750745
tert-butyl N-[1-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 78851204
N'-[N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylcarbamimidoyl]-N,N-dimethylmethanimidamide
CID 54215814
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
N-[(6-chloro-3-pyridinyl)methyl]-N,4,6-trimethylpyrimidin-2-amine
CID 50948120

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide (CID 19967186) is N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide is [H]/N=C(\C)N(C)Cc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide?
The InChIKey is JHZWQGRBAHJYIZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-7(11)13(2)6-8-3-4-9(10)12-5-8/h3-5,11H,6H2,1-2H3/b11-7+.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide?
N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide has a molecular weight of 197.67 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-methylethanimidamide is sourced from PubChem (CID 19967186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).