(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide

C18H23N5O — CID 98761227

IUPAC(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
SMILESCc1ccc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccccc3)C2)nn1
InChIInChI=1S/C18H23N5O/c1-13-9-10-16(22-21-13)23-11-5-8-15(12-23)20-17(18(19)24)14-6-3-2-4-7-14/h2-4,6-7,9-10,15,17,20H,5,8,11-12H2,1H3,(H2,19,24)/t15-,17+/m0/s1
InChIKeyBFVMVDFEPQJYIV-DOTOQJQBSA-N
MW325.42 g/mol
LogP1.57
Rot. Bonds5

About (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide

(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide (PubChem CID 98761227) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
PubChem CID98761227
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
SMILESCc1ccc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccccc3)C2)nn1
InChIInChI=1S/C18H23N5O/c1-13-9-10-16(22-21-13)23-11-5-8-15(12-23)20-17(18(19)24)14-6-3-2-4-7-14/h2-4,6-7,9-10,15,17,20H,5,8,11-12H2,1H3,(H2,19,24)/t15-,17+/m0/s1
InChIKeyBFVMVDFEPQJYIV-DOTOQJQBSA-N
XLogP1.57
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
CID 127337250
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
(2R)-1-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 98761235
(2S)-1-[[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-3-phenoxypropan-2-ol
CID 95351729
(2S)-2-[[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]-2-phenylacetamide
CID 95322499
(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 95764452
(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546
(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95342984
(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
CID 96525935
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide (CID 98761227) is (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide is Cc1ccc(N2CCC[C@H](N[C@@H](C(N)=O)c3ccccc3)C2)nn1.
What is the InChIKey of (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide?
The InChIKey is BFVMVDFEPQJYIV-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-9-10-16(22-21-13)23-11-5-8-15(12-23)20-17(18(19)24)14-6-3-2-4-7-14/h2-4,6-7,9-10,15,17,20H,5,8,11-12H2,1H3,(H2,19,24)/t15-,17+/m0/s1.
What are the key properties of (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide?
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide has a molecular weight of 325.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 98761227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).