[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C13H19ClN4O — CID 62170776

IUPAC[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCNc1ncc(C(=O)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C13H19ClN4O/c1-3-15-12-11(14)8-10(9-16-12)13(19)18-6-4-17(2)5-7-18/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyNLAVUXPXZOLNOI-UHFFFAOYSA-N
MW282.78 g/mol
LogP1.55
Rot. Bonds3

About [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 62170776) has the molecular formula C13H19ClN4O and a molecular weight of 282.78 g/mol. Its IUPAC name is [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID62170776
Molecular FormulaC13H19ClN4O
Molecular Weight282.78 g/mol
Exact Mass282.12
IUPAC Name[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCNc1ncc(C(=O)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C13H19ClN4O/c1-3-15-12-11(14)8-10(9-16-12)13(19)18-6-4-17(2)5-7-18/h8-9H,3-7H2,1-2H3,(H,15,16)
InChIKeyNLAVUXPXZOLNOI-UHFFFAOYSA-N
XLogP1.55
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
4-[5-chloro-6-(ethylamino)pyridine-3-carbonyl]-1-methylpiperazin-2-one
CID 64693525
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172223
[5-chloro-6-(ethylamino)-3-pyridinyl]-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107458893
[5-chloro-6-(ethylamino)-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538359
[5-chloro-6-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56585261
[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968832
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
5-chloro-6-(ethylamino)-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 62180970
[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 62170776) is [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CCNc1ncc(C(=O)N2CCN(C)CC2)cc1Cl.
What is the InChIKey of [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NLAVUXPXZOLNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O/c1-3-15-12-11(14)8-10(9-16-12)13(19)18-6-4-17(2)5-7-18/h8-9H,3-7H2,1-2H3,(H,15,16).
What are the key properties of [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 282.78 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 62170776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).