N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide

C18H15ClN2O4 — CID 11210558

IUPACN-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide
SMILESO=C(NCCCOc1cc(=O)oc2ccc(Cl)cc12)c1ccncc1
InChIInChI=1S/C18H15ClN2O4/c19-13-2-3-15-14(10-13)16(11-17(22)25-15)24-9-1-6-21-18(23)12-4-7-20-8-5-12/h2-5,7-8,10-11H,1,6,9H2,(H,21,23)
InChIKeyWTGDYDGPYUGKCR-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.04
Rot. Bonds6

About N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide

N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide (PubChem CID 11210558) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide
PubChem CID11210558
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC NameN-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide
SMILESO=C(NCCCOc1cc(=O)oc2ccc(Cl)cc12)c1ccncc1
InChIInChI=1S/C18H15ClN2O4/c19-13-2-3-15-14(10-13)16(11-17(22)25-15)24-9-1-6-21-18(23)12-4-7-20-8-5-12/h2-5,7-8,10-11H,1,6,9H2,(H,21,23)
InChIKeyWTGDYDGPYUGKCR-UHFFFAOYSA-N
XLogP3.04
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-(5-aminopentoxy)-6-chlorochromen-2-one
CID 11173576
N-[2-[3-(2,4-dichlorophenoxy)propylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 60599859
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]pyridine-4-carboxamide
CID 75381423
6-chloro-4-(pyridin-2-ylmethoxy)chromen-2-one;2,2,2-trifluoroacetic acid
CID 87595691
N-[3-(4-fluorophenoxy)propyl]pyridine-4-carboxamide
CID 47473376
N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]pyridine-4-carboxamide
CID 108541628
3-(pyridine-4-carbonylamino)propyl hydrogen carbonate
CID 130453907
N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 110790543
N-(2-trimethylsilyloxyethyl)pyridine-4-carboxamide
CID 11064466
N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
CID 11311185
2-(pyridine-4-carbonylamino)ethyl 5-chloro-2-methoxybenzoate
CID 60592379
N-(4-aminooxybutyl)pyridine-4-carboxamide
CID 139932357

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide (CID 11210558) is N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide is O=C(NCCCOc1cc(=O)oc2ccc(Cl)cc12)c1ccncc1.
What is the InChIKey of N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide?
The InChIKey is WTGDYDGPYUGKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-13-2-3-15-14(10-13)16(11-17(22)25-15)24-9-1-6-21-18(23)12-4-7-20-8-5-12/h2-5,7-8,10-11H,1,6,9H2,(H,21,23).
What are the key properties of N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide?
N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide has a molecular weight of 358.78 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-2-oxochromen-4-yl)oxypropyl]pyridine-4-carboxamide is sourced from PubChem (CID 11210558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).