carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate

C14H14N4O4 — CID 90741979

IUPACcarbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate
SMILESCNc1ccc(Oc2ccnc(C(=O)OC(N)=O)c2)cc1N
InChIInChI=1S/C14H14N4O4/c1-17-11-3-2-8(6-10(11)15)21-9-4-5-18-12(7-9)13(19)22-14(16)20/h2-7,17H,15H2,1H3,(H2,16,20)
InChIKeySNWDIKIGCNBKKS-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.73
Rot. Bonds4

About carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate

carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate (PubChem CID 90741979) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namecarbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate
PubChem CID90741979
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Namecarbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate
SMILESCNc1ccc(Oc2ccnc(C(=O)OC(N)=O)c2)cc1N
InChIInChI=1S/C14H14N4O4/c1-17-11-3-2-8(6-10(11)15)21-9-4-5-18-12(7-9)13(19)22-14(16)20/h2-7,17H,15H2,1H3,(H2,16,20)
InChIKeySNWDIKIGCNBKKS-UHFFFAOYSA-N
XLogP1.73
TPSA129.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl 4-(3-amino-4-chlorophenoxy)pyridine-2-carboxylate
CID 91052781
carbamoyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 90856634
tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate
CID 25149800
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
carbamoyl 4-[4-[(2-fluoro-5-methylsulfonylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 91001608
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
CID 89129780
carbamoyl 4-[4-[[2-(pyridine-4-carbonylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxylate
CID 90869605
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
4-[3-amino-4-[(4-chloro-3-methylphenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 89041396
(NZ)-N-[[4-[3-amino-4-(methylamino)phenoxy]-2-pyridinyl]methylidene]hydroxylamine;methane;methanol;(NZ)-N-[[4-[4-(methylamino)-3-nitrophenoxy]-2-pyridinyl]methylidene]hydroxylamine
CID 172937212

Frequently Asked Questions

What is the IUPAC name of carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate?
The IUPAC name of carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate (CID 90741979) is carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate.
What is the SMILES notation for carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate?
The canonical SMILES for carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate is CNc1ccc(Oc2ccnc(C(=O)OC(N)=O)c2)cc1N.
What is the InChIKey of carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate?
The InChIKey is SNWDIKIGCNBKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-17-11-3-2-8(6-10(11)15)21-9-4-5-18-12(7-9)13(19)22-14(16)20/h2-7,17H,15H2,1H3,(H2,16,20).
What are the key properties of carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate?
carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate has a molecular weight of 302.29 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylate is sourced from PubChem (CID 90741979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).