[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone

C19H24N4O2 — CID 128989461

IUPAC[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccnc3ccncc23)C1
InChIInChI=1S/C19H24N4O2/c1-25-15-10-14(12-22-8-2-3-9-22)23(13-15)19(24)16-4-7-21-18-5-6-20-11-17(16)18/h4-7,11,14-15H,2-3,8-10,12-13H2,1H3/t14-,15-/m0/s1
InChIKeyMEQVJAFIBQUWFO-GJZGRUSLSA-N
MW340.43 g/mol
LogP1.96
Rot. Bonds4

About [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone

[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone (PubChem CID 128989461) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone
PubChem CID128989461
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccnc3ccncc23)C1
InChIInChI=1S/C19H24N4O2/c1-25-15-10-14(12-22-8-2-3-9-22)23(13-15)19(24)16-4-7-21-18-5-6-20-11-17(16)18/h4-7,11,14-15H,2-3,8-10,12-13H2,1H3/t14-,15-/m0/s1
InChIKeyMEQVJAFIBQUWFO-GJZGRUSLSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopyrimidin-5-yl)-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 128989672
[6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 128989463
(3-bromo-4-pyridinyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984375
[(2S,4S)-1-(isoquinoline-8-carbonyl)-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 138002534
(4-fluoro-3-methoxyphenyl)-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 128989413
1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 128989784
1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 128989764
[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1,6-naphthyridin-4-yl)methanone
CID 129492185
1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 128989732
(4-fluoronaphthalen-1-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128990385
5-[(2R,4R)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 126839402
(2-chlorofuran-3-yl)-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128984908

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone?
The IUPAC name of [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone (CID 128989461) is [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone?
The canonical SMILES for [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone is CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccnc3ccncc23)C1.
What is the InChIKey of [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone?
The InChIKey is MEQVJAFIBQUWFO-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-15-10-14(12-22-8-2-3-9-22)23(13-15)19(24)16-4-7-21-18-5-6-20-11-17(16)18/h4-7,11,14-15H,2-3,8-10,12-13H2,1H3/t14-,15-/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone?
[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone is sourced from PubChem (CID 128989461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).