2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid

C19H15N3O4 — CID 142783290

IUPAC2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(Oc2cc(NC(=O)C3CC3)ncn2)ccc2ccccc12
InChIInChI=1S/C19H15N3O4/c23-18(12-5-6-12)22-15-9-16(21-10-20-15)26-14-8-7-11-3-1-2-4-13(11)17(14)19(24)25/h1-4,7-10,12H,5-6H2,(H,24,25)(H,20,21,22,23)
InChIKeyXUGXZNHHCVPYKP-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.47
Rot. Bonds5

About 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid

2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid (PubChem CID 142783290) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
PubChem CID142783290
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(Oc2cc(NC(=O)C3CC3)ncn2)ccc2ccccc12
InChIInChI=1S/C19H15N3O4/c23-18(12-5-6-12)22-15-9-16(21-10-20-15)26-14-8-7-11-3-1-2-4-13(11)17(14)19(24)25/h1-4,7-10,12H,5-6H2,(H,24,25)(H,20,21,22,23)
InChIKeyXUGXZNHHCVPYKP-UHFFFAOYSA-N
XLogP3.47
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(5-amino-2-fluorophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 118231297
N-[6-(4-amino-2-cyanophenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 118231292
[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid
CID 91273093
N-[6-(4-amino-3-methylphenoxy)pyrimidin-4-yl]cyclopropanecarboxamide
CID 90020675
2-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 122327552
N-[6-[4-[3-[4-chloro-3-(1,1-difluoroethyl)phenyl]-2-oxopropyl]-2-methylphenoxy]pyrimidin-4-yl]cyclopropanecarboxamide
CID 153057964
tert-butyl 2-[6-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxy-3-pyridinyl]acetate
CID 152794499
1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone
CID 117061432
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-ethoxynaphthalene-1-carboxamide
CID 121062474
N-[6-(2-ethoxyphenyl)pyrimidin-4-yl]-1-methylpiperidine-4-carboxamide
CID 59508971
N-(6-bromopyrimidin-4-yl)cyclopropanecarboxamide
CID 176572417
2-(2-amino-2-oxoethoxy)naphthalene-1-carboxylic acid
CID 964401

Frequently Asked Questions

What is the IUPAC name of 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid?
The IUPAC name of 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid (CID 142783290) is 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid?
The canonical SMILES for 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid is O=C(O)c1c(Oc2cc(NC(=O)C3CC3)ncn2)ccc2ccccc12.
What is the InChIKey of 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid?
The InChIKey is XUGXZNHHCVPYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-18(12-5-6-12)22-15-9-16(21-10-20-15)26-14-8-7-11-3-1-2-4-13(11)17(14)19(24)25/h1-4,7-10,12H,5-6H2,(H,24,25)(H,20,21,22,23).
What are the key properties of 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid?
2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid has a molecular weight of 349.35 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 142783290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).