N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride

C9H11ClN2O — CID 146479339

IUPACN-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
SMILESCc1cccnc1CN(C)C(=O)Cl
InChIInChI=1S/C9H11ClN2O/c1-7-4-3-5-11-8(7)6-12(2)9(10)13/h3-5H,6H2,1-2H3
InChIKeyDUFXJZLAXMKTBJ-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.18
Rot. Bonds2

About N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride (PubChem CID 146479339) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
PubChem CID146479339
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC NameN-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
SMILESCc1cccnc1CN(C)C(=O)Cl
InChIInChI=1S/C9H11ClN2O/c1-7-4-3-5-11-8(7)6-12(2)9(10)13/h3-5H,6H2,1-2H3
InChIKeyDUFXJZLAXMKTBJ-UHFFFAOYSA-N
XLogP2.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 90650041
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 112650853
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107147133
2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134701429
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 70786055
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
S-[(3-methyl-2-pyridinyl)methyl] propanethioate
CID 14109335
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
3-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]cyclobutan-1-amine
CID 112651436

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride?
The IUPAC name of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride (CID 146479339) is N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride.
What is the SMILES notation for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride?
The canonical SMILES for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride is Cc1cccnc1CN(C)C(=O)Cl.
What is the InChIKey of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride?
The InChIKey is DUFXJZLAXMKTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-7-4-3-5-11-8(7)6-12(2)9(10)13/h3-5H,6H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride?
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride has a molecular weight of 198.65 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride is sourced from PubChem (CID 146479339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).