tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate

C16H25N5O3 — CID 97007666

IUPACtert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate
SMILESCN(C)c1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)nn1
InChIInChI=1S/C16H25N5O3/c1-16(2,3)24-15(23)17-11-8-9-21(10-11)14(22)12-6-7-13(19-18-12)20(4)5/h6-7,11H,8-10H2,1-5H3,(H,17,23)/t11-/m0/s1
InChIKeyKNWMRXHYFJCQLT-NSHDSACASA-N
MW335.41 g/mol
LogP1.28
Rot. Bonds3

About tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate (PubChem CID 97007666) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate
PubChem CID97007666
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Nametert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate
SMILESCN(C)c1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)nn1
InChIInChI=1S/C16H25N5O3/c1-16(2,3)24-15(23)17-11-8-9-21(10-11)14(22)12-6-7-13(19-18-12)20(4)5/h6-7,11H,8-10H2,1-5H3,(H,17,23)/t11-/m0/s1
InChIKeyKNWMRXHYFJCQLT-NSHDSACASA-N
XLogP1.28
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(3R)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate
CID 97007665
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241
tert-butyl N-[(3S)-1-(6-chloropyridine-3-carbonyl)pyrrolidin-3-yl]carbamate
CID 166934663
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-[1-(phenylcarbamoyl)pyrrolidin-3-yl]carbamate
CID 110874414
tert-butyl N-(1-benzoylpiperidin-3-yl)carbamate
CID 60549057
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
CID 177042378
tert-butyl N-[1-[(E)-N'-hydroxycarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 89317609
tert-butyl N-[(3S)-1-(3-bromo-4-iodobenzoyl)pyrrolidin-3-yl]carbamate
CID 170590095
tert-butyl N-[(3S)-1-carbamimidoylpyrrolidin-3-yl]carbamate
CID 95187739
2-adamantyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 52944645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate (CID 97007666) is tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate is CN(C)c1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)nn1.
What is the InChIKey of tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate?
The InChIKey is KNWMRXHYFJCQLT-NSHDSACASA-N. The full InChI is InChI=1S/C16H25N5O3/c1-16(2,3)24-15(23)17-11-8-9-21(10-11)14(22)12-6-7-13(19-18-12)20(4)5/h6-7,11H,8-10H2,1-5H3,(H,17,23)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate has a molecular weight of 335.41 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 97007666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).