methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate

C14H14ClN3O2 — CID 113012316

IUPACmethyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H14ClN3O2/c1-20-14(19)18-12-6-7-13(17-9-12)16-8-10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyYAAICADJTVFHOD-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.53
Rot. Bonds4

About methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate

methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 113012316) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID113012316
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Namemethyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C14H14ClN3O2/c1-20-14(19)18-12-6-7-13(17-9-12)16-8-10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyYAAICADJTVFHOD-UHFFFAOYSA-N
XLogP3.53
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]butanamide
CID 113012264
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-phenylacetamide
CID 113012292
2-chloro-N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]benzamide
CID 113012299
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-2-methylbenzamide
CID 113012276
methyl 6-[(4-chlorophenyl)methylamino]pyridine-3-carboxylate
CID 146669717
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
4-chloro-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027275
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
CID 113012926
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012323
3-amino-N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]propanamide
CID 82034183

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate (CID 113012316) is methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate is COC(=O)Nc1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is YAAICADJTVFHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-14(19)18-12-6-7-13(17-9-12)16-8-10-2-4-11(15)5-3-10/h2-7,9H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate?
methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 291.74 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 113012316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).