(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C18H29N5O2 — CID 95342984

IUPAC(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1ccc(N2CCC[C@H](N[C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1
InChIInChI=1S/C18H29N5O2/c1-13-7-8-17(22-21-13)23-9-3-5-15(12-23)20-14(2)18(24)19-11-16-6-4-10-25-16/h7-8,14-16,20H,3-6,9-12H2,1-2H3,(H,19,24)/t14-,15-,16-/m0/s1
InChIKeyNJJJRKBRNKKSEE-JYJNAYRXSA-N
MW347.46 g/mol
LogP1.03
Rot. Bonds6

About (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 95342984) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID95342984
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCc1ccc(N2CCC[C@H](N[C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1
InChIInChI=1S/C18H29N5O2/c1-13-7-8-17(22-21-13)23-9-3-5-15(12-23)20-14(2)18(24)19-11-16-6-4-10-25-16/h7-8,14-16,20H,3-6,9-12H2,1-2H3,(H,19,24)/t14-,15-,16-/m0/s1
InChIKeyNJJJRKBRNKKSEE-JYJNAYRXSA-N
XLogP1.03
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-[[(3S)-1-pyridazin-3-ylpiperidin-3-yl]amino]propanamide
CID 98765693
N-ethyl-N-methyl-2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]carbamoylamino]propanamide
CID 122139210
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227
3,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridine-2-carboxamide
CID 136521831
1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
CID 127337250
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95340373
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]propanamide
CID 124886784
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
(2R)-2-methoxy-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]propane-1-sulfonamide
CID 124887107
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027204
(4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 95342984) is (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is Cc1ccc(N2CCC[C@H](N[C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)nn1.
What is the InChIKey of (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is NJJJRKBRNKKSEE-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13-7-8-17(22-21-13)23-9-3-5-15(12-23)20-14(2)18(24)19-11-16-6-4-10-25-16/h7-8,14-16,20H,3-6,9-12H2,1-2H3,(H,19,24)/t14-,15-,16-/m0/s1.
What are the key properties of (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 95342984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).