ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid

C22H23FN4O5 — CID 66706287

IUPACethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)c1ccccc1O
InChIInChI=1S/C15H17FN4O2.C7H6O3/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;8-6-4-2-1-3-5(6)7(9)10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-4,8H,(H,9,10)
InChIKeyANJDDGNVRLTTCF-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.07
Rot. Bonds6

About ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid

ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid (PubChem CID 66706287) has the molecular formula C22H23FN4O5 and a molecular weight of 442.45 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid.

Molecular Properties

Compound Nameethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
PubChem CID66706287
Molecular FormulaC22H23FN4O5
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Nameethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
SMILESCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)c1ccccc1O
InChIInChI=1S/C15H17FN4O2.C7H6O3/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;8-6-4-2-1-3-5(6)7(9)10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-4,8H,(H,9,10)
InChIKeyANJDDGNVRLTTCF-UHFFFAOYSA-N
XLogP4.07
TPSA146.80 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 11296955
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
CID 67981379
2-chloroethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261412
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258
ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate
CID 137420884
3-bromopropyl N-[2-amino-6-(benzylamino)-3-pyridinyl]carbamate
CID 110187378
cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 110186504
ethyl N-[2-amino-6-[(2,6-dimethylphenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261324
ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
CID 141275396

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid?
The IUPAC name of ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid (CID 66706287) is ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid.
What is the SMILES notation for ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid?
The canonical SMILES for ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid is CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.O=C(O)c1ccccc1O.
What is the InChIKey of ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid?
The InChIKey is ANJDDGNVRLTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2.C7H6O3/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;8-6-4-2-1-3-5(6)7(9)10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-4,8H,(H,9,10).
What are the key properties of ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid?
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid has a molecular weight of 442.45 g/mol, XLogP of 4.07, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid is sourced from PubChem (CID 66706287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).