(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone

C12H17ClN4O — CID 114921648

IUPAC(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(N)ncc2Cl)CC1
InChIInChI=1S/C12H17ClN4O/c1-2-16-3-5-17(6-4-16)12(18)9-7-11(14)15-8-10(9)13/h7-8H,2-6H2,1H3,(H2,14,15)
InChIKeyDSVOAVMQSRQGAR-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.09
Rot. Bonds2

About (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone

(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 114921648) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID114921648
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(N)ncc2Cl)CC1
InChIInChI=1S/C12H17ClN4O/c1-2-16-3-5-17(6-4-16)12(18)9-7-11(14)15-8-10(9)13/h7-8H,2-6H2,1H3,(H2,14,15)
InChIKeyDSVOAVMQSRQGAR-UHFFFAOYSA-N
XLogP1.09
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(5-amino-2-chlorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16783879
(2-amino-5-chloro-4-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 114923213
(2-amino-5-chloro-4-pyridinyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 114923574
(4-amino-6-methyl-3-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 81236941
(2-amino-5-chloro-4-pyridinyl)-(2,6-dimethylthiomorpholin-4-yl)methanone
CID 114923710
(2-amino-5-chloro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114923810
(2-amino-5-chloro-4-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 114924651
(5-chloro-2-methylsulfanylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 6463586
(2-amino-5-chloro-4-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114923992
(2-amino-5-chloro-4-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 114922134
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-amino-5-chloro-4-pyridinyl)methanone
CID 114922388
(2-amino-5-chloro-4-pyridinyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102966244

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone (CID 114921648) is (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(N)ncc2Cl)CC1.
What is the InChIKey of (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is DSVOAVMQSRQGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-2-16-3-5-17(6-4-16)12(18)9-7-11(14)15-8-10(9)13/h7-8H,2-6H2,1H3,(H2,14,15).
What are the key properties of (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone?
(2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 268.75 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-4-pyridinyl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 114921648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).