methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride

C15H15Cl3N4O3 — CID 141251369

IUPACmethyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(Cl)ccc1NC(=O)OC
InChIInChI=1S/C15H14Cl2N4O3.ClH/c1-24-15(23)20-12-3-2-9(16)4-8(12)6-21-7-10(17)5-11(13(21)18)14(19)22;/h2-5,7,18H,6H2,1H3,(H2,19,22)(H,20,23);1H/b18-13-;
InChIKeyUAIPAXVQGAHCAC-AAKIMCHBSA-N
MW405.67 g/mol
LogP3.02
Rot. Bonds4

About methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride

methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride (PubChem CID 141251369) has the molecular formula C15H15Cl3N4O3 and a molecular weight of 405.67 g/mol. Its IUPAC name is methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride
PubChem CID141251369
Molecular FormulaC15H15Cl3N4O3
Molecular Weight405.67 g/mol
Exact Mass404.02
IUPAC Namemethyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride
SMILESCl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(Cl)ccc1NC(=O)OC
InChIInChI=1S/C15H14Cl2N4O3.ClH/c1-24-15(23)20-12-3-2-9(16)4-8(12)6-21-7-10(17)5-11(13(21)18)14(19)22;/h2-5,7,18H,6H2,1H3,(H2,19,22)(H,20,23);1H/b18-13-;
InChIKeyUAIPAXVQGAHCAC-AAKIMCHBSA-N
XLogP3.02
TPSA110.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.67
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride with MolForge

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Related Compounds

[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]methanesulfinate;hydrochloride
CID 174627708
1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 89111989
5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 66970134
5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151571
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 59151563
5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide
CID 68662047
1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 70994800
5-chloro-1-[(2,3-difluorophenyl)methyl]-2-iminopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87534643
5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151575
5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 143660736
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68662284
5-chloro-1-[[2-(cyclopropylsulfamoyl)-5-fluorophenyl]methyl]-2-iminopyridine-3-carboxamide;hydrochloride
CID 66970183

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride?
The IUPAC name of methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride (CID 141251369) is methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride.
What is the SMILES notation for methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride?
The canonical SMILES for methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride is Cl.[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(Cl)ccc1NC(=O)OC.
What is the InChIKey of methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride?
The InChIKey is UAIPAXVQGAHCAC-AAKIMCHBSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3.ClH/c1-24-15(23)20-12-3-2-9(16)4-8(12)6-21-7-10(17)5-11(13(21)18)14(19)22;/h2-5,7,18H,6H2,1H3,(H2,19,22)(H,20,23);1H/b18-13-;.
What are the key properties of methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride?
methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride has a molecular weight of 405.67 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride is sourced from PubChem (CID 141251369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).