methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate

C15H16ClN3O2 — CID 66287522

IUPACmethyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N(C)Cc2cc(N)ccc2Cl)ccn1
InChIInChI=1S/C15H16ClN3O2/c1-19(9-10-7-11(17)3-4-13(10)16)12-5-6-18-14(8-12)15(20)21-2/h3-8H,9,17H2,1-2H3
InChIKeyKZBSERDAQSFODQ-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.74
Rot. Bonds4

About methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate

methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate (PubChem CID 66287522) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
PubChem CID66287522
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Namemethyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N(C)Cc2cc(N)ccc2Cl)ccn1
InChIInChI=1S/C15H16ClN3O2/c1-19(9-10-7-11(17)3-4-13(10)16)12-5-6-18-14(8-12)15(20)21-2/h3-8H,9,17H2,1-2H3
InChIKeyKZBSERDAQSFODQ-UHFFFAOYSA-N
XLogP2.74
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
CID 66290685
methyl 4-aminopyridine-2-carboxylate
CID 3759117
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425
ethene;methyl 4-aminopyridine-2-carboxylate
CID 177218086
methyl 4-[[(2-carbamoyl-4-pyridinyl)-methylamino]methyl]benzoate
CID 133313787
methyl 4-[2-cyanopropyl(methyl)amino]pyridine-2-carboxylate
CID 66285396
4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365
4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide
CID 60877624
4-N-[(5-amino-2-chlorophenyl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 64829899
methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109217873
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417
methyl 2-[(5-amino-2-chlorophenyl)methyl-methylsulfamoyl]acetate
CID 61456989

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate (CID 66287522) is methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate is COC(=O)c1cc(N(C)Cc2cc(N)ccc2Cl)ccn1.
What is the InChIKey of methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate?
The InChIKey is KZBSERDAQSFODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-19(9-10-7-11(17)3-4-13(10)16)12-5-6-18-14(8-12)15(20)21-2/h3-8H,9,17H2,1-2H3.
What are the key properties of methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate?
methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate has a molecular weight of 305.77 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-amino-2-chlorophenyl)methyl-methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 66287522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).