[5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

C14H21ClN4O2 — CID 66052597

IUPAC[5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCNc1ncc(C(=O)N2CC(O)CC2CN(C)C)cc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-16-13-12(15)4-9(6-17-13)14(21)19-8-11(20)5-10(19)7-18(2)3/h4,6,10-11,20H,5,7-8H2,1-3H3,(H,16,17)
InChIKeyUUIBZUFLDOMTIC-UHFFFAOYSA-N
MW312.80 g/mol
LogP0.91
Rot. Bonds4

About [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone

[5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66052597) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID66052597
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name[5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
SMILESCNc1ncc(C(=O)N2CC(O)CC2CN(C)C)cc1Cl
InChIInChI=1S/C14H21ClN4O2/c1-16-13-12(15)4-9(6-17-13)14(21)19-8-11(20)5-10(19)7-18(2)3/h4,6,10-11,20H,5,7-8H2,1-3H3,(H,16,17)
InChIKeyUUIBZUFLDOMTIC-UHFFFAOYSA-N
XLogP0.91
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222
(2-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66056211
(4-bromo-3-chlorophenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 81295352
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 66057048
(2-amino-5-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 114923950
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 66052386
(3-chloro-4-pyridinyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66483191
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-[4-(methylamino)-3-pyridinyl]methanone
CID 81245316
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821788
(4-chloro-2,5-difluorophenyl)-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 82771776
[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63175204

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone (CID 66052597) is [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is CNc1ncc(C(=O)N2CC(O)CC2CN(C)C)cc1Cl.
What is the InChIKey of [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is UUIBZUFLDOMTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-16-13-12(15)4-9(6-17-13)14(21)19-8-11(20)5-10(19)7-18(2)3/h4,6,10-11,20H,5,7-8H2,1-3H3,(H,16,17).
What are the key properties of [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone?
[5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 312.80 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66052597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).