N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H17N5O4 — CID 35336042

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)ccc1=O
InChIInChI=1S/C18H17N5O4/c1-23-16(24)9-8-15(22-23)17(25)20-12-4-6-13(7-5-12)21-18(26)19-11-14-3-2-10-27-14/h2-10H,11H2,1H3,(H,20,25)(H2,19,21,26)
InChIKeyBVYFFAJZSPSFSM-UHFFFAOYSA-N
MW367.37 g/mol
LogP1.95
Rot. Bonds5

About N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 35336042) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID35336042
Molecular FormulaC18H17N5O4
Molecular Weight367.37 g/mol
Exact Mass367.13
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)ccc1=O
InChIInChI=1S/C18H17N5O4/c1-23-16(24)9-8-15(22-23)17(25)20-12-4-6-13(7-5-12)21-18(26)19-11-14-3-2-10-27-14/h2-10H,11H2,1H3,(H,20,25)(H2,19,21,26)
InChIKeyBVYFFAJZSPSFSM-UHFFFAOYSA-N
XLogP1.95
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 122133981
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55794278
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 29367485
5-cyclopropyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 34110514
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
1-(furan-2-ylmethyl)-3-(1-methylbenzotriazol-5-yl)urea
CID 893567
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
(2R)-2-acetamido-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 29367214
6-N-[4-(dimethylamino)phenyl]-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097185
2-ethoxy-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 29367228
1-methyl-6-oxo-N-[4-(triazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 86998524
2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 35336042) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)ccc1=O.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is BVYFFAJZSPSFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-23-16(24)9-8-15(22-23)17(25)20-12-4-6-13(7-5-12)21-18(26)19-11-14-3-2-10-27-14/h2-10H,11H2,1H3,(H,20,25)(H2,19,21,26).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 367.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 35336042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).