[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C19H28N4O — CID 133138711

IUPAC[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN(C)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)C[C@H]1C1CC1
InChIInChI=1S/C19H28N4O/c1-21(2)17-13-23(12-16(17)14-5-6-14)18-11-15(7-8-20-18)19(24)22-9-3-4-10-22/h7-8,11,14,16-17H,3-6,9-10,12-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyFBUPAJZPQZOBRW-DLBZAZTESA-N
MW328.46 g/mol
LogP2.09
Rot. Bonds4

About [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 133138711) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID133138711
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCN(C)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)C[C@H]1C1CC1
InChIInChI=1S/C19H28N4O/c1-21(2)17-13-23(12-16(17)14-5-6-14)18-11-15(7-8-20-18)19(24)22-9-3-4-10-22/h7-8,11,14,16-17H,3-6,9-10,12-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyFBUPAJZPQZOBRW-DLBZAZTESA-N
XLogP2.09
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 133138711) is [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is CN(C)[C@@H]1CN(c2cc(C(=O)N3CCCC3)ccn2)C[C@H]1C1CC1.
What is the InChIKey of [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FBUPAJZPQZOBRW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H28N4O/c1-21(2)17-13-23(12-16(17)14-5-6-14)18-11-15(7-8-20-18)19(24)22-9-3-4-10-22/h7-8,11,14,16-17H,3-6,9-10,12-13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 328.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 133138711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).