4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C18H17N5O3 — CID 67965567

IUPAC4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cccc2c1NC1COc2ccccc2C1C(N)=O
InChIInChI=1S/C18H17N5O3/c19-17(24)11-8-21-23-7-3-5-13(23)16(11)22-12-9-26-14-6-2-1-4-10(14)15(12)18(20)25/h1-8,12,15,22H,9H2,(H2,19,24)(H2,20,25)
InChIKeyNXZSEEWFGBEMHY-UHFFFAOYSA-N
MW351.37 g/mol
LogP0.88
Rot. Bonds4

About 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 67965567) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID67965567
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cccc2c1NC1COc2ccccc2C1C(N)=O
InChIInChI=1S/C18H17N5O3/c19-17(24)11-8-21-23-7-3-5-13(23)16(11)22-12-9-26-14-6-2-1-4-10(14)15(12)18(20)25/h1-8,12,15,22H,9H2,(H2,19,24)(H2,20,25)
InChIKeyNXZSEEWFGBEMHY-UHFFFAOYSA-N
XLogP0.88
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 67965567) is 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cccc2c1NC1COc2ccccc2C1C(N)=O.
What is the InChIKey of 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NXZSEEWFGBEMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-17(24)11-8-21-23-7-3-5-13(23)16(11)22-12-9-26-14-6-2-1-4-10(14)15(12)18(20)25/h1-8,12,15,22H,9H2,(H2,19,24)(H2,20,25).
What are the key properties of 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamoyl-3,4-dihydro-2H-chromen-3-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 67965567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).