ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate

C16H17N3O4 — CID 9210948

IUPACethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2ccc(OC)nc2)c1
InChIInChI=1S/C16H17N3O4/c1-3-23-16(21)19-12-6-4-5-11(9-12)15(20)18-13-7-8-14(22-2)17-10-13/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCQVLRYKIPKHACH-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.91
Rot. Bonds5

About ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate

ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate (PubChem CID 9210948) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
PubChem CID9210948
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Nameethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2ccc(OC)nc2)c1
InChIInChI=1S/C16H17N3O4/c1-3-23-16(21)19-12-6-4-5-11(9-12)15(20)18-13-7-8-14(22-2)17-10-13/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCQVLRYKIPKHACH-UHFFFAOYSA-N
XLogP2.91
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
CID 24707094
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
N-(6-methoxy-3-pyridinyl)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 84588254
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide
CID 170977062
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
4-(ethylamino)-N-(6-methoxy-3-pyridinyl)-3-methylbenzamide
CID 63210411
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate (CID 9210948) is ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)Nc2ccc(OC)nc2)c1.
What is the InChIKey of ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate?
The InChIKey is CQVLRYKIPKHACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-23-16(21)19-12-6-4-5-11(9-12)15(20)18-13-7-8-14(22-2)17-10-13/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate?
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate has a molecular weight of 315.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9210948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).