4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride

C19H19ClN2O4 — CID 69145376

IUPAC4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride
SMILESCOc1cccnc1-c1ccc(NCc2cc(C(=O)O)oc2C)cc1.Cl
InChIInChI=1S/C19H18N2O4.ClH/c1-12-14(10-17(25-12)19(22)23)11-21-15-7-5-13(6-8-15)18-16(24-2)4-3-9-20-18;/h3-10,21H,11H2,1-2H3,(H,22,23);1H
InChIKeyWBMWHPYNPNIGKT-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.39
Rot. Bonds6

About 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride

4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride (PubChem CID 69145376) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride
PubChem CID69145376
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride
SMILESCOc1cccnc1-c1ccc(NCc2cc(C(=O)O)oc2C)cc1.Cl
InChIInChI=1S/C19H18N2O4.ClH/c1-12-14(10-17(25-12)19(22)23)11-21-15-7-5-13(6-8-15)18-16(24-2)4-3-9-20-18;/h3-10,21H,11H2,1-2H3,(H,22,23);1H
InChIKeyWBMWHPYNPNIGKT-UHFFFAOYSA-N
XLogP4.39
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
4-[(3-ethoxyanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103245688
4-[(3-bromo-4-methylanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103251369
4-[(1,3-benzodioxol-5-ylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 103235066
4-[(4-bromo-3-chloroanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 107613573
4-[(4-bromo-3-iodoanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 114260642
4-[(2,6-diethylanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103248273
4-[(2-bromo-5-methoxyanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103252633
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 68919722
4-[(2,5-dimethylanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 103234879
4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 79406595
5-methyl-4-[(2-propan-2-yloxyethylamino)methyl]furan-2-carboxylic acid
CID 103266503

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride (CID 69145376) is 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride is COc1cccnc1-c1ccc(NCc2cc(C(=O)O)oc2C)cc1.Cl.
What is the InChIKey of 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride?
The InChIKey is WBMWHPYNPNIGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4.ClH/c1-12-14(10-17(25-12)19(22)23)11-21-15-7-5-13(6-8-15)18-16(24-2)4-3-9-20-18;/h3-10,21H,11H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride?
4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride has a molecular weight of 374.82 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methoxy-2-pyridinyl)anilino]methyl]-5-methylfuran-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 69145376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).