[4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

C19H25N5O — CID 100653469

IUPAC[4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESC[C@H]1CN(Cc2cccnc2)CCN1C(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C19H25N5O/c1-15-13-23(14-16-5-4-7-20-12-16)9-10-24(15)19(25)18-11-17(22(2)3)6-8-21-18/h4-8,11-12,15H,9-10,13-14H2,1-3H3/t15-/m0/s1
InChIKeyYEYWPQKPCBIBAX-HNNXBMFYSA-N
MW339.44 g/mol
LogP1.89
Rot. Bonds4

About [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

[4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 100653469) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID100653469
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESC[C@H]1CN(Cc2cccnc2)CCN1C(=O)c1cc(N(C)C)ccn1
InChIInChI=1S/C19H25N5O/c1-15-13-23(14-16-5-4-7-20-12-16)9-10-24(15)19(25)18-11-17(22(2)3)6-8-21-18/h4-8,11-12,15H,9-10,13-14H2,1-3H3/t15-/m0/s1
InChIKeyYEYWPQKPCBIBAX-HNNXBMFYSA-N
XLogP1.89
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

2H-benzotriazol-4-yl-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 100650537
(3-chloro-5-methoxy-4-propoxyphenyl)-[2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 102561633
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 124856003
(2R)-N,N-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 97325846
[3-(dimethylamino)phenyl]-[(1S,5R)-3-(pyridin-3-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70704869
(6-chloro-3-pyridinyl)-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]methanone
CID 16671311
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
(2-fluoro-3-pyridinyl)-[(2S)-2-methyl-4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 164560890
(2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856349
[4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone
CID 99604346

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 100653469) is [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is C[C@H]1CN(Cc2cccnc2)CCN1C(=O)c1cc(N(C)C)ccn1.
What is the InChIKey of [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is YEYWPQKPCBIBAX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-13-23(14-16-5-4-7-20-12-16)9-10-24(15)19(25)18-11-17(22(2)3)6-8-21-18/h4-8,11-12,15H,9-10,13-14H2,1-3H3/t15-/m0/s1.
What are the key properties of [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
[4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-2-pyridinyl]-[(2S)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 100653469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).