(6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

C21H27N5O — CID 118290778

IUPAC(6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
SMILESCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(C(=O)c2ccc(N)nn2)CC1
InChIInChI=1S/C21H27N5O/c1-21(14-23-18-13-16(18)15-5-3-2-4-6-15)9-11-26(12-10-21)20(27)17-7-8-19(22)25-24-17/h2-8,16,18,23H,9-14H2,1H3,(H2,22,25)/t16-,18+/m0/s1
InChIKeyJOOYFEVIUSPWJE-FUHWJXTLSA-N
MW365.48 g/mol
LogP2.45
Rot. Bonds5

About (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone

(6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 118290778) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
PubChem CID118290778
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name(6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
SMILESCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(C(=O)c2ccc(N)nn2)CC1
InChIInChI=1S/C21H27N5O/c1-21(14-23-18-13-16(18)15-5-3-2-4-6-15)9-11-26(12-10-21)20(27)17-7-8-19(22)25-24-17/h2-8,16,18,23H,9-14H2,1H3,(H2,22,25)/t16-,18+/m0/s1
InChIKeyJOOYFEVIUSPWJE-FUHWJXTLSA-N
XLogP2.45
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(6-aminopyridazin-3-yl)-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302832
(5-amino-1H-pyrazol-4-yl)-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone
CID 118302763
2-[1-[4-methyl-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]cyclobutyl]acetic acid
CID 118297869
5-[[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 118290921
4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylic acid
CID 137422500
3-[3-[4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carbonyl]pyrazol-1-yl]propanenitrile
CID 118302854
4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
CID 155265856
(4-ethyl-4-methylpiperidin-1-yl)-(6-hydrazinylpyridazin-3-yl)methanone
CID 63161790
[4-(methoxymethyl)-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 118290857
tert-butyl 4-(methoxymethyl)-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 118319880
1-[4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 130453521
(1-methylpiperidin-4-yl)methyl 4-fluoro-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 137422455

Frequently Asked Questions

What is the IUPAC name of (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone (CID 118290778) is (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is CC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(C(=O)c2ccc(N)nn2)CC1.
What is the InChIKey of (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
The InChIKey is JOOYFEVIUSPWJE-FUHWJXTLSA-N. The full InChI is InChI=1S/C21H27N5O/c1-21(14-23-18-13-16(18)15-5-3-2-4-6-15)9-11-26(12-10-21)20(27)17-7-8-19(22)25-24-17/h2-8,16,18,23H,9-14H2,1H3,(H2,22,25)/t16-,18+/m0/s1.
What are the key properties of (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone?
(6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminopyridazin-3-yl)-[4-methyl-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118290778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).