6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid

C19H18N2O5 — CID 174225433

IUPAC6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(Nc1cc(Oc2ccc3c(c2)CCC(C(=O)O)O3)ccn1)C1CC1
InChIInChI=1S/C19H18N2O5/c22-18(11-1-2-11)21-17-10-14(7-8-20-17)25-13-4-6-15-12(9-13)3-5-16(26-15)19(23)24/h4,6-11,16H,1-3,5H2,(H,23,24)(H,20,21,22)
InChIKeyYGYQTCMEPGYPMY-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.00
Rot. Bonds5

About 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid

6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 174225433) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID174225433
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESO=C(Nc1cc(Oc2ccc3c(c2)CCC(C(=O)O)O3)ccn1)C1CC1
InChIInChI=1S/C19H18N2O5/c22-18(11-1-2-11)21-17-10-14(7-8-20-17)25-13-4-6-15-12(9-13)3-5-16(26-15)19(23)24/h4,6-11,16H,1-3,5H2,(H,23,24)(H,20,21,22)
InChIKeyYGYQTCMEPGYPMY-UHFFFAOYSA-N
XLogP3.00
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 174225433) is 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid is O=C(Nc1cc(Oc2ccc3c(c2)CCC(C(=O)O)O3)ccn1)C1CC1.
What is the InChIKey of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is YGYQTCMEPGYPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-18(11-1-2-11)21-17-10-14(7-8-20-17)25-13-4-6-15-12(9-13)3-5-16(26-15)19(23)24/h4,6-11,16H,1-3,5H2,(H,23,24)(H,20,21,22).
What are the key properties of 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid?
6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 354.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 174225433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).