N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

C16H17ClN4O3 — CID 87004540

IUPACN-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(C(=O)NC)ccc2Cl)ccc1=O
InChIInChI=1S/C16H17ClN4O3/c1-3-8-21-14(22)7-6-12(20-21)16(24)19-13-9-10(15(23)18-2)4-5-11(13)17/h4-7,9H,3,8H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyYGNGAASNJPWURP-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.92
Rot. Bonds5

About N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 87004540) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID87004540
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC NameN-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(C(=O)NC)ccc2Cl)ccc1=O
InChIInChI=1S/C16H17ClN4O3/c1-3-8-21-14(22)7-6-12(20-21)16(24)19-13-9-10(15(23)18-2)4-5-11(13)17/h4-7,9H,3,8H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyYGNGAASNJPWURP-UHFFFAOYSA-N
XLogP1.92
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 87004540) is N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2cc(C(=O)NC)ccc2Cl)ccc1=O.
What is the InChIKey of N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is YGNGAASNJPWURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-3-8-21-14(22)7-6-12(20-21)16(24)19-13-9-10(15(23)18-2)4-5-11(13)17/h4-7,9H,3,8H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 87004540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).