(3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

C19H27N5O2 — CID 164640982

IUPAC(3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1C[C@@H](C(=O)NCC2CCN(c3ccc(C)nn3)CC2)CC1=O
InChIInChI=1S/C19H27N5O2/c1-3-8-24-13-16(11-18(24)25)19(26)20-12-15-6-9-23(10-7-15)17-5-4-14(2)21-22-17/h3-5,15-16H,1,6-13H2,2H3,(H,20,26)/t16-/m0/s1
InChIKeyGCULLLYAZIWGHZ-INIZCTEOSA-N
MW357.46 g/mol
LogP1.15
Rot. Bonds6

About (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

(3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 164640982) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID164640982
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1C[C@@H](C(=O)NCC2CCN(c3ccc(C)nn3)CC2)CC1=O
InChIInChI=1S/C19H27N5O2/c1-3-8-24-13-16(11-18(24)25)19(26)20-12-15-6-9-23(10-7-15)17-5-4-14(2)21-22-17/h3-5,15-16H,1,6-13H2,2H3,(H,20,26)/t16-/m0/s1
InChIKeyGCULLLYAZIWGHZ-INIZCTEOSA-N
XLogP1.15
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-{2-[1-(6-Methyl-3-pyridazinyl)-4-piperidinyl]ethyl}-2-pyrrolidinone
CID 39830966
N-{3-[Methyl(phenyl)amino]propyl}-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]piperidine-4-carboxamide
CID 50771949
N~4~-(4-fluorobenzyl)-1-[6-(1-pyrrolidinyl)-3-pyridazinyl]-4-piperidinecarboxamide
CID 50772054
(1-Ethyl-3,5-dimethylpyrazol-4-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 53616606
3-(3,5-Dimethylpyrazol-1-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]propan-1-one
CID 53616715
1-[4-[(6-Methylpyridazin-3-yl)amino]piperidin-1-yl]-3-phenylpropan-1-one
CID 53617408
N-(cyclopropylmethyl)-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]acetamide
CID 53617554
2-cyclopentyl-1-[3-(ethylamino)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl]ethanone
CID 56778398
1-[4-[(6-Methylpyridazin-3-yl)amino]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56778586
3-[4-[(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56778588
2-[Cyclopropyl(methyl)amino]-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
CID 56780019
N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 56802128

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (CID 164640982) is (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is C=CCN1C[C@@H](C(=O)NCC2CCN(c3ccc(C)nn3)CC2)CC1=O.
What is the InChIKey of (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is GCULLLYAZIWGHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-8-24-13-16(11-18(24)25)19(26)20-12-15-6-9-23(10-7-15)17-5-4-14(2)21-22-17/h3-5,15-16H,1,6-13H2,2H3,(H,20,26)/t16-/m0/s1.
What are the key properties of (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
(3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 164640982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).