methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate

C23H20ClFN4O4 — CID 123859017

IUPACmethyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1cc(NC(=O)c2c(Cl)ccc(OCc3ccc4c(c3)CCO4)c2F)cnc1N
InChIInChI=1S/C23H20ClFN4O4/c1-31-22(27)15-9-14(10-28-21(15)26)29-23(30)19-16(24)3-5-18(20(19)25)33-11-12-2-4-17-13(8-12)6-7-32-17/h2-5,8-10,27H,6-7,11H2,1H3,(H2,26,28)(H,29,30)/b27-22-
InChIKeyRCRVKTLAQNZGJR-QYQHSDTDSA-N
MW470.89 g/mol
LogP4.19
Rot. Bonds6

About methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate

methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate (PubChem CID 123859017) has the molecular formula C23H20ClFN4O4 and a molecular weight of 470.89 g/mol. Its IUPAC name is methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate.

Molecular Properties

Compound Namemethyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate
PubChem CID123859017
Molecular FormulaC23H20ClFN4O4
Molecular Weight470.89 g/mol
Exact Mass470.12
IUPAC Namemethyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1cc(NC(=O)c2c(Cl)ccc(OCc3ccc4c(c3)CCO4)c2F)cnc1N
InChIInChI=1S/C23H20ClFN4O4/c1-31-22(27)15-9-14(10-28-21(15)26)29-23(30)19-16(24)3-5-18(20(19)25)33-11-12-2-4-17-13(8-12)6-7-32-17/h2-5,8-10,27H,6-7,11H2,1H3,(H2,26,28)(H,29,30)/b27-22-
InChIKeyRCRVKTLAQNZGJR-QYQHSDTDSA-N
XLogP4.19
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.89
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-6-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45167489
2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide
CID 14626938
N-[[6-[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropoxy]-5-methyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
CID 14626955
2,6-difluoro-N-[[5-methyl-6-[2,2,2-trifluoro-1-(2,2,3,3-tetrafluoro-1-benzofuran-5-yl)ethoxy]-3-pyridinyl]carbamoyl]benzamide
CID 14626957
2-chloro-N-[[6-[1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropoxy]-5-methyl-3-pyridinyl]carbamoyl]benzamide
CID 20061501
N-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 22498950
6-chloro-2-fluoro-3-[(4-methoxyphenyl)methoxy]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 51001901
6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 51002001
(2,6-difluorophenyl)-N-[5-(5-chloro(2,3-dihydrobenzo[3,4-b]furan-6-yl))(2-pyridyl)]carboxamide
CID 58486645
N-[5-(5-chloro(2,3-dihydrobenzo[3,4-b]furan-6-yl))(2-pyridyl)](2-fluorophenyl)carboxamide
CID 58486713
2-chloro-N-[5-(6-chloro-2,2-difluoro-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
CID 58486730
2-chloro-N-[5-(2,2-difluoro-6-methyl-3H-1-benzofuran-5-yl)pyrazin-2-yl]benzamide
CID 58486903

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate?
The IUPAC name of methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate (CID 123859017) is methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate.
What is the SMILES notation for methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate?
The canonical SMILES for methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate is [H]/N=C(\OC)c1cc(NC(=O)c2c(Cl)ccc(OCc3ccc4c(c3)CCO4)c2F)cnc1N.
What is the InChIKey of methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate?
The InChIKey is RCRVKTLAQNZGJR-QYQHSDTDSA-N. The full InChI is InChI=1S/C23H20ClFN4O4/c1-31-22(27)15-9-14(10-28-21(15)26)29-23(30)19-16(24)3-5-18(20(19)25)33-11-12-2-4-17-13(8-12)6-7-32-17/h2-5,8-10,27H,6-7,11H2,1H3,(H2,26,28)(H,29,30)/b27-22-.
What are the key properties of methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate?
methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate has a molecular weight of 470.89 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[[6-chloro-3-(2,3-dihydro-1-benzofuran-5-ylmethoxy)-2-fluorobenzoyl]amino]pyridine-3-carboximidate is sourced from PubChem (CID 123859017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).