[6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C19H30N4O2 — CID 128989463

IUPAC[6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc(CN(C)C)nc2)C1
InChIInChI=1S/C19H30N4O2/c1-21(2)12-16-7-6-15(11-20-16)19(24)23-14-18(25-3)10-17(23)13-22-8-4-5-9-22/h6-7,11,17-18H,4-5,8-10,12-14H2,1-3H3/t17-,18-/m0/s1
InChIKeySFWRFGLYJQBQQU-ROUUACIJSA-N
MW346.48 g/mol
LogP1.47
Rot. Bonds6

About [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

[6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 128989463) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID128989463
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name[6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc(CN(C)C)nc2)C1
InChIInChI=1S/C19H30N4O2/c1-21(2)12-16-7-6-15(11-20-16)19(24)23-14-18(25-3)10-17(23)13-22-8-4-5-9-22/h6-7,11,17-18H,4-5,8-10,12-14H2,1-3H3/t17-,18-/m0/s1
InChIKeySFWRFGLYJQBQQU-ROUUACIJSA-N
XLogP1.47
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoro-3-methoxyphenyl)-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 128989413
(4-aminopyrimidin-5-yl)-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 128989672
[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1,6-naphthyridin-4-yl)methanone
CID 128989461
1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 128989764
1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359705
[(2S,4S)-2-[(3-aminopyrazol-1-yl)methyl]-4-methoxypyrrolidin-1-yl]-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 154788241
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]-2-phenylmethoxyethanone
CID 128989732
6-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 128989388
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 128984328
5-[(2R,4R)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 126839402
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 128984894

Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 128989463) is [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)c2ccc(CN(C)C)nc2)C1.
What is the InChIKey of [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SFWRFGLYJQBQQU-ROUUACIJSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21(2)12-16-7-6-15(11-20-16)19(24)23-14-18(25-3)10-17(23)13-22-8-4-5-9-22/h6-7,11,17-18H,4-5,8-10,12-14H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
[6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 346.48 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-3-pyridinyl]-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 128989463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).