[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone

C14H22N4O2 — CID 81245316

IUPAC[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ccncc1C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H22N4O2/c1-15-13-4-5-16-7-12(13)14(20)18-9-11(19)6-10(18)8-17(2)3/h4-5,7,10-11,19H,6,8-9H2,1-3H3,(H,15,16)
InChIKeyUVGSKAORBGUUAC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.26
Rot. Bonds4

About [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone

[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone (PubChem CID 81245316) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone
PubChem CID81245316
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone
SMILESCNc1ccncc1C(=O)N1CC(O)CC1CN(C)C
InChIInChI=1S/C14H22N4O2/c1-15-13-4-5-16-7-12(13)14(20)18-9-11(19)6-10(18)8-17(2)3/h4-5,7,10-11,19H,6,8-9H2,1-3H3,(H,15,16)
InChIKeyUVGSKAORBGUUAC-UHFFFAOYSA-N
XLogP0.26
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone (CID 81245316) is [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone is CNc1ccncc1C(=O)N1CC(O)CC1CN(C)C.
What is the InChIKey of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone?
The InChIKey is UVGSKAORBGUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-15-13-4-5-16-7-12(13)14(20)18-9-11(19)6-10(18)8-17(2)3/h4-5,7,10-11,19H,6,8-9H2,1-3H3,(H,15,16).
What are the key properties of [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone?
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone has a molecular weight of 278.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81245316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).