N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide

C16H22N4O2 — CID 177347357

IUPACN-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NC(=O)C2CC2)nnc1C(=O)NC1CCC1
InChIInChI=1S/C16H22N4O2/c1-9(2)12-8-13(18-15(21)10-6-7-10)19-20-14(12)16(22)17-11-4-3-5-11/h8-11H,3-7H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyBCIYECPYYIRPLO-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.23
Rot. Bonds5

About N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide

N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide (PubChem CID 177347357) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide
PubChem CID177347357
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)c1cc(NC(=O)C2CC2)nnc1C(=O)NC1CCC1
InChIInChI=1S/C16H22N4O2/c1-9(2)12-8-13(18-15(21)10-6-7-10)19-20-14(12)16(22)17-11-4-3-5-11/h8-11H,3-7H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKeyBCIYECPYYIRPLO-UHFFFAOYSA-N
XLogP2.23
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide (CID 177347357) is N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide is CC(C)c1cc(NC(=O)C2CC2)nnc1C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is BCIYECPYYIRPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-9(2)12-8-13(18-15(21)10-6-7-10)19-20-14(12)16(22)17-11-4-3-5-11/h8-11H,3-7H2,1-2H3,(H,17,22)(H,18,19,21).
What are the key properties of N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide?
N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-(cyclopropanecarbonylamino)-4-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 177347357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).