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

C14H21ClN4O — CID 62890107

IUPAC[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCNc1ccc(Cl)c(C(=O)N2CCCC2CN(C)C)n1
InChIInChI=1S/C14H21ClN4O/c1-16-12-7-6-11(15)13(17-12)14(20)19-8-4-5-10(19)9-18(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyHKPCVGXWXYSKLN-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.94
Rot. Bonds4

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

[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (PubChem CID 62890107) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is [3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
PubChem CID62890107
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
SMILESCNc1ccc(Cl)c(C(=O)N2CCCC2CN(C)C)n1
InChIInChI=1S/C14H21ClN4O/c1-16-12-7-6-11(15)13(17-12)14(20)19-8-4-5-10(19)9-18(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyHKPCVGXWXYSKLN-UHFFFAOYSA-N
XLogP1.94
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55042109
(3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62247878
(2-chlorofuran-3-yl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 106686764
[3-chloro-6-(methylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55042294
[3-chloro-6-(methylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964681
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62889950
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[3-chloro-6-(methylamino)-2-pyridinyl]methanone
CID 79946116
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 62888189
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[6-(ethylamino)-2-pyridinyl]methanone
CID 62889943
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
(3-amino-4-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 105069899
3-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-6-(methylamino)pyridine-2-carboxamide
CID 62174078

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone (CID 62890107) is [3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is CNc1ccc(Cl)c(C(=O)N2CCCC2CN(C)C)n1.
What is the InChIKey of [3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is HKPCVGXWXYSKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-16-12-7-6-11(15)13(17-12)14(20)19-8-4-5-10(19)9-18(2)3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of [3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone?
[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 296.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62890107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).