[6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride

C19H30Cl2N4O2 — CID 154897411

IUPAC[6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride
SMILESCN(C)[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)C[C@@H]1C1CC1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-21(2)17-13-23(12-16(17)14-3-4-14)18-6-5-15(11-20-18)19(24)22-7-9-25-10-8-22;;/h5-6,11,14,16-17H,3-4,7-10,12-13H2,1-2H3;2*1H/t16-,17+;;/m1../s1
InChIKeyUAVHTTIYMSPCMA-LWPKXAGOSA-N
MW417.38 g/mol
LogP2.17
Rot. Bonds4

About [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride

[6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride (PubChem CID 154897411) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride
PubChem CID154897411
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC Name[6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride
SMILESCN(C)[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)C[C@@H]1C1CC1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-21(2)17-13-23(12-16(17)14-3-4-14)18-6-5-15(11-20-18)19(24)22-7-9-25-10-8-22;;/h5-6,11,14,16-17H,3-4,7-10,12-13H2,1-2H3;2*1H/t16-,17+;;/m1../s1
InChIKeyUAVHTTIYMSPCMA-LWPKXAGOSA-N
XLogP2.17
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride with MolForge

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Related Compounds

[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 133138711
N,N-dimethyl-4-(6-morpholin-4-ylpyridine-3-carbonyl)piperazine-1-sulfonamide
CID 32505460
[6-(3-amino-4-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]-morpholin-4-ylmethanone
CID 156605295
[4-(3-methylpiperidin-1-yl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 123921823
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56739291
1-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320191
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492
1-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbonyl]piperidine-4-carboxamide
CID 37320192
[6-[(3aR,5R,6R,7aS)-5-(cyclopropylmethoxy)-6-(dimethylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 172663089
morpholin-4-yl-[6-[3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridinyl]methanone
CID 135118221
6-[(3S,4R)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 72839154
[3-(methoxymethyl)piperidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 45232737

Frequently Asked Questions

What is the IUPAC name of [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride?
The IUPAC name of [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride (CID 154897411) is [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride.
What is the SMILES notation for [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride?
The canonical SMILES for [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride is CN(C)[C@H]1CN(c2ccc(C(=O)N3CCOCC3)cn2)C[C@@H]1C1CC1.Cl.Cl.
What is the InChIKey of [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride?
The InChIKey is UAVHTTIYMSPCMA-LWPKXAGOSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c1-21(2)17-13-23(12-16(17)14-3-4-14)18-6-5-15(11-20-18)19(24)22-7-9-25-10-8-22;;/h5-6,11,14,16-17H,3-4,7-10,12-13H2,1-2H3;2*1H/t16-,17+;;/m1../s1.
What are the key properties of [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride?
[6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone;dihydrochloride is sourced from PubChem (CID 154897411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).